N-[5-[6-[[1-[[2-(cyclopropanecarbonylamino)-5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methyl]-5-methylpyrazol-3-yl]methylamino]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C47H46N14O3 — CID 91505268

About N-[5-[6-[[1-[[2-(cyclopropanecarbonylamino)-5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methyl]-5-methylpyrazol-3-yl]methylamino]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[6-[[1-[[2-(cyclopropanecarbonylamino)-5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methyl]-5-methylpyrazol-3-yl]methylamino]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 91505268) has the molecular formula C47H46N14O3 and a molecular weight of 854.98 g/mol. Its IUPAC name is N-[5-[6-[[1-[[2-(cyclopropanecarbonylamino)-5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methyl]-5-methylpyrazol-3-yl]methylamino]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[6-[[1-[[2-(cyclopropanecarbonylamino)-5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methyl]-5-methylpyrazol-3-yl]methylamino]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• PubChem CID: 91505268
• Molecular Formula: C47H46N14O3
• Molecular Weight: 854.98 g/mol
• Exact Mass: 854.39
• IUPAC Name: N-[5-[6-[[1-[[2-(cyclopropanecarbonylamino)-5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methyl]-5-methylpyrazol-3-yl]methylamino]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• SMILES: Cc1cc(CNc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cn2)nn1Cc1ccc(-c2ccc(OCc3ccc(N4CCCC4)nc3)cc2)n2nc(NC(=O)C3CC3)nc12
• InChI: InChI=1S/C47H46N14O3/c1-29-23-36(26-49-40-19-15-34(25-48-40)38-5-4-6-42-51-46(56-60(38)42)53-44(62)32-8-9-32)55-59(29)27-35-14-18-39(61-43(35)52-47(57-61)54-45(63)33-10-11-33)31-12-16-37(17-13-31)64-28-30-7-20-41(50-24-30)58-21-2-3-22-58/h4-7,12-20,23-25,32-33H,2-3,8-11,21-22,26-28H2,1H3,(H,48,49)(H,53,56,62)(H,54,57,63)
• InChIKey: ODEIVGSOBNYKKV-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 186.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	854.98
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[[1-[[2-(cyclopropanecarbonylamino)-5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methyl]-5-methylpyrazol-3-yl]methylamino]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[6-[[1-[[2-(cyclopropanecarbonylamino)-5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methyl]-5-methylpyrazol-3-yl]methylamino]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 91505268) is N-[5-[6-[[1-[[2-(cyclopropanecarbonylamino)-5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methyl]-5-methylpyrazol-3-yl]methylamino]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[6-[[1-[[2-(cyclopropanecarbonylamino)-5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methyl]-5-methylpyrazol-3-yl]methylamino]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[6-[[1-[[2-(cyclopropanecarbonylamino)-5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methyl]-5-methylpyrazol-3-yl]methylamino]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is Cc1cc(CNc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cn2)nn1Cc1ccc(-c2ccc(OCc3ccc(N4CCCC4)nc3)cc2)n2nc(NC(=O)C3CC3)nc12.

What is the InChIKey of N-[5-[6-[[1-[[2-(cyclopropanecarbonylamino)-5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methyl]-5-methylpyrazol-3-yl]methylamino]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The InChIKey is ODEIVGSOBNYKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H46N14O3/c1-29-23-36(26-49-40-19-15-34(25-48-40)38-5-4-6-42-51-46(56-60(38)42)53-44(62)32-8-9-32)55-59(29)27-35-14-18-39(61-43(35)52-47(57-61)54-45(63)33-10-11-33)31-12-16-37(17-13-31)64-28-30-7-20-41(50-24-30)58-21-2-3-22-58/h4-7,12-20,23-25,32-33H,2-3,8-11,21-22,26-28H2,1H3,(H,48,49)(H,53,56,62)(H,54,57,63).

What are the key properties of N-[5-[6-[[1-[[2-(cyclopropanecarbonylamino)-5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methyl]-5-methylpyrazol-3-yl]methylamino]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

N-[5-[6-[[1-[[2-(cyclopropanecarbonylamino)-5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methyl]-5-methylpyrazol-3-yl]methylamino]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 854.98 g/mol, XLogP of 6.94, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-[[1-[[2-(cyclopropanecarbonylamino)-5-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methyl]-5-methylpyrazol-3-yl]methylamino]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91505268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).