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N-(3-chloranyl-4-fluoranyl-phenyl)-5-[(cyclopentylmethylamino)methyl]-4-cyclopropyl-pyridin-2-amine; methanoic acid

Systemtic Name:	N-(3-chloranyl-4-fluoranyl-phenyl)-5-[(cyclopentylmethylamino)methyl]-4-cyclopropyl-pyridin-2-amine; methanoic acid
Openeye Name:	N-(3-chloro-4-fluoro-phenyl)-5-[(cyclopentylmethylamino)methyl]-4-cyclopropyl-pyridin-2-amine; formic acid
CAS Name:	N-(3-chloro-4-fluorophenyl)-5-[(cyclopentylmethylamino)methyl]-4-cyclopropyl-2-pyridinamine; formic acid
IUPAC Name:	N-(3-chloro-4-fluorophenyl)-5-[(cyclopentylmethylamino)methyl]-4-cyclopropylpyridin-2-amine; formic acid
Traditional Name:	[6-(3-chloro-4-fluoro-anilino)-4-cyclopropyl-3-pyridyl]methyl-(cyclopentylmethyl)amine; formic acid
Formula:	C₁₁₂H₁₃₉Cl₅F₅N₁₅O₁₄
MolecularWeight:	2191.651176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CNCC2=CN=C(C=C2C3CC3)NC4=CC(=C(C=C4)F)Cl.C1CCC(C1)CNCC2=CN=C(C=C2C3CC3)NC4=CC(=C(C=C4)F)Cl.C1CCC(C1)CNCC2=CN=C(C=C2C3CC3)NC4=CC(=C(C=C4)F)Cl.C1CCC(C1)CNCC2=CN=C(C=C2C3CC3)NC4=CC(=C(C=C4)F)Cl.C1CCC(C1)CNCC2=CN=C(C=C2C3CC3)NC4=CC(=C(C=C4)F)Cl.C(=O)O.C(=O)O.C(=O)O.C(=O)O.C(=O)O.C(=O)O.C(=O)O

Isomeric SMILES

InChI

InChI=1S/5C21H25ClFN3.7CH2O2/c5*22-19-9-17(7-8-20(19)23)26-21-10-18(15-5-6-15)16(13-25-21)12-24-11-14-3-1-2-4-14;7*2-1-3/h5*7-10,13-15,24H,1-6,11-12H2,(H,25,26);7*1H,(H,2,3)

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