N-[4-[3-[1-[[6-(cyclopropanecarbonylamino)-4-[3-[1-[[6-(cyclopropanecarbonylamino)-3-(difluoromethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-(2-fluoropropan-2-yl)-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-5-[fluoro(phenyl)methyl]-2-pyridinyl]cyclopropanecarboxamide

C68H66F4N18O6 — CID 166858367

About N-[4-[3-[1-[[6-(cyclopropanecarbonylamino)-4-[3-[1-[[6-(cyclopropanecarbonylamino)-3-(difluoromethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-(2-fluoropropan-2-yl)-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-5-[fluoro(phenyl)methyl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[3-[1-[[6-(cyclopropanecarbonylamino)-4-[3-[1-[[6-(cyclopropanecarbonylamino)-3-(difluoromethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-(2-fluoropropan-2-yl)-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-5-[fluoro(phenyl)methyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 166858367) has the molecular formula C68H66F4N18O6 and a molecular weight of 1307.39 g/mol. Its IUPAC name is N-[4-[3-[1-[[6-(cyclopropanecarbonylamino)-4-[3-[1-[[6-(cyclopropanecarbonylamino)-3-(difluoromethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-(2-fluoropropan-2-yl)-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-5-[fluoro(phenyl)methyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[3-[1-[[6-(cyclopropanecarbonylamino)-4-[3-[1-[[6-(cyclopropanecarbonylamino)-3-(difluoromethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-(2-fluoropropan-2-yl)-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-5-[fluoro(phenyl)methyl]-2-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 166858367
• Molecular Formula: C68H66F4N18O6
• Molecular Weight: 1307.39 g/mol
• Exact Mass: 1306.53
• IUPAC Name: N-[4-[3-[1-[[6-(cyclopropanecarbonylamino)-4-[3-[1-[[6-(cyclopropanecarbonylamino)-3-(difluoromethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-(2-fluoropropan-2-yl)-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-5-[fluoro(phenyl)methyl]-2-pyridinyl]cyclopropanecarboxamide
• SMILES: COc1c(Nc2cc(NC(=O)C3CC3)ncc2C(F)c2ccccc2)cccc1-c1ncn(Cc2nc(NC(=O)C3CC3)cc(Nc3cccc(-c4ncn(Cc5nc(NC(=O)C6CC6)cc(Nc6cccc(-c7ncn(C)n7)c6OC)c5C(F)F)n4)c3OC)c2C(C)(C)F)n1
• InChI: InChI=1S/C68H66F4N18O6/c1-68(2,72)56-49(79-46-20-12-17-42(60(46)96-6)63-75-34-89(86-63)31-50-55(61(70)71)48(28-53(80-50)83-66(92)38-23-24-38)78-45-19-10-15-40(58(45)94-4)62-74-33-88(3)85-62)29-54(84-67(93)39-25-26-39)81-51(56)32-90-35-76-64(87-90)41-16-11-18-44(59(41)95-5)77-47-27-52(82-65(91)37-21-22-37)73-30-43(47)57(69)36-13-8-7-9-14-36/h7-20,27-30,33-35,37-39,57,61H,21-26,31-32H2,1-6H3,(H2,73,77,82,91)(H2,78,80,83,92)(H2,79,81,84,93)
• InChIKey: OOJGNNJGATVCCQ-UHFFFAOYSA-N
• XLogP: 12.78
• TPSA: 281.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1307.39
LogP ≤ 5	12.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[1-[[6-(cyclopropanecarbonylamino)-4-[3-[1-[[6-(cyclopropanecarbonylamino)-3-(difluoromethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-(2-fluoropropan-2-yl)-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-5-[fluoro(phenyl)methyl]-2-pyridinyl]cyclopropanecarboxamide?

The IUPAC name of N-[4-[3-[1-[[6-(cyclopropanecarbonylamino)-4-[3-[1-[[6-(cyclopropanecarbonylamino)-3-(difluoromethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-(2-fluoropropan-2-yl)-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-5-[fluoro(phenyl)methyl]-2-pyridinyl]cyclopropanecarboxamide (CID 166858367) is N-[4-[3-[1-[[6-(cyclopropanecarbonylamino)-4-[3-[1-[[6-(cyclopropanecarbonylamino)-3-(difluoromethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-(2-fluoropropan-2-yl)-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-5-[fluoro(phenyl)methyl]-2-pyridinyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[4-[3-[1-[[6-(cyclopropanecarbonylamino)-4-[3-[1-[[6-(cyclopropanecarbonylamino)-3-(difluoromethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-(2-fluoropropan-2-yl)-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-5-[fluoro(phenyl)methyl]-2-pyridinyl]cyclopropanecarboxamide?

The canonical SMILES for N-[4-[3-[1-[[6-(cyclopropanecarbonylamino)-4-[3-[1-[[6-(cyclopropanecarbonylamino)-3-(difluoromethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-(2-fluoropropan-2-yl)-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-5-[fluoro(phenyl)methyl]-2-pyridinyl]cyclopropanecarboxamide is COc1c(Nc2cc(NC(=O)C3CC3)ncc2C(F)c2ccccc2)cccc1-c1ncn(Cc2nc(NC(=O)C3CC3)cc(Nc3cccc(-c4ncn(Cc5nc(NC(=O)C6CC6)cc(Nc6cccc(-c7ncn(C)n7)c6OC)c5C(F)F)n4)c3OC)c2C(C)(C)F)n1.

What is the InChIKey of N-[4-[3-[1-[[6-(cyclopropanecarbonylamino)-4-[3-[1-[[6-(cyclopropanecarbonylamino)-3-(difluoromethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-(2-fluoropropan-2-yl)-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-5-[fluoro(phenyl)methyl]-2-pyridinyl]cyclopropanecarboxamide?

The InChIKey is OOJGNNJGATVCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H66F4N18O6/c1-68(2,72)56-49(79-46-20-12-17-42(60(46)96-6)63-75-34-89(86-63)31-50-55(61(70)71)48(28-53(80-50)83-66(92)38-23-24-38)78-45-19-10-15-40(58(45)94-4)62-74-33-88(3)85-62)29-54(84-67(93)39-25-26-39)81-51(56)32-90-35-76-64(87-90)41-16-11-18-44(59(41)95-5)77-47-27-52(82-65(91)37-21-22-37)73-30-43(47)57(69)36-13-8-7-9-14-36/h7-20,27-30,33-35,37-39,57,61H,21-26,31-32H2,1-6H3,(H2,73,77,82,91)(H2,78,80,83,92)(H2,79,81,84,93).

What are the key properties of N-[4-[3-[1-[[6-(cyclopropanecarbonylamino)-4-[3-[1-[[6-(cyclopropanecarbonylamino)-3-(difluoromethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-(2-fluoropropan-2-yl)-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-5-[fluoro(phenyl)methyl]-2-pyridinyl]cyclopropanecarboxamide?

N-[4-[3-[1-[[6-(cyclopropanecarbonylamino)-4-[3-[1-[[6-(cyclopropanecarbonylamino)-3-(difluoromethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-(2-fluoropropan-2-yl)-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-5-[fluoro(phenyl)methyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 1307.39 g/mol, XLogP of 12.78, 26 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[1-[[6-(cyclopropanecarbonylamino)-4-[3-[1-[[6-(cyclopropanecarbonylamino)-3-(difluoromethyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-(2-fluoropropan-2-yl)-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-5-[fluoro(phenyl)methyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 166858367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).