2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(oxetan-2-ylmethyl)-N-pyrazolo[1,5-a]pyridin-5-ylbenzimidazole-5-carboxamide

C37H35ClFN7O3 — CID 168678449

About 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(oxetan-2-ylmethyl)-N-pyrazolo[1,5-a]pyridin-5-ylbenzimidazole-5-carboxamide

2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(oxetan-2-ylmethyl)-N-pyrazolo[1,5-a]pyridin-5-ylbenzimidazole-5-carboxamide (PubChem CID 168678449) has the molecular formula C37H35ClFN7O3 and a molecular weight of 680.18 g/mol. Its IUPAC name is 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(oxetan-2-ylmethyl)-N-pyrazolo[1,5-a]pyridin-5-ylbenzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(oxetan-2-ylmethyl)-N-pyrazolo[1,5-a]pyridin-5-ylbenzimidazole-5-carboxamide
• PubChem CID: 168678449
• Molecular Formula: C37H35ClFN7O3
• Molecular Weight: 680.18 g/mol
• Exact Mass: 679.25
• IUPAC Name: 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(oxetan-2-ylmethyl)-N-pyrazolo[1,5-a]pyridin-5-ylbenzimidazole-5-carboxamide
• SMILES: O=C(Nc1ccn2nccc2c1)c1ccc2c(c1)nc(CN1CCC(c3cccc(OCc4ccc(Cl)cc4F)n3)CC1)n2CC1CCO1
• InChI: InChI=1S/C37H35ClFN7O3/c38-27-6-4-26(31(39)19-27)23-49-36-3-1-2-32(43-36)24-9-14-44(15-10-24)22-35-42-33-18-25(5-7-34(33)45(35)21-30-12-17-48-30)37(47)41-28-11-16-46-29(20-28)8-13-40-46/h1-8,11,13,16,18-20,24,30H,9-10,12,14-15,17,21-23H2,(H,41,47)
• InChIKey: BUHUNJODJFBVHK-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 98.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	680.18
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(oxetan-2-ylmethyl)-N-pyrazolo[1,5-a]pyridin-5-ylbenzimidazole-5-carboxamide?

The IUPAC name of 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(oxetan-2-ylmethyl)-N-pyrazolo[1,5-a]pyridin-5-ylbenzimidazole-5-carboxamide (CID 168678449) is 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(oxetan-2-ylmethyl)-N-pyrazolo[1,5-a]pyridin-5-ylbenzimidazole-5-carboxamide.

What is the SMILES notation for 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(oxetan-2-ylmethyl)-N-pyrazolo[1,5-a]pyridin-5-ylbenzimidazole-5-carboxamide?

The canonical SMILES for 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(oxetan-2-ylmethyl)-N-pyrazolo[1,5-a]pyridin-5-ylbenzimidazole-5-carboxamide is O=C(Nc1ccn2nccc2c1)c1ccc2c(c1)nc(CN1CCC(c3cccc(OCc4ccc(Cl)cc4F)n3)CC1)n2CC1CCO1.

What is the InChIKey of 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(oxetan-2-ylmethyl)-N-pyrazolo[1,5-a]pyridin-5-ylbenzimidazole-5-carboxamide?

The InChIKey is BUHUNJODJFBVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35ClFN7O3/c38-27-6-4-26(31(39)19-27)23-49-36-3-1-2-32(43-36)24-9-14-44(15-10-24)22-35-42-33-18-25(5-7-34(33)45(35)21-30-12-17-48-30)37(47)41-28-11-16-46-29(20-28)8-13-40-46/h1-8,11,13,16,18-20,24,30H,9-10,12,14-15,17,21-23H2,(H,41,47).

What are the key properties of 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(oxetan-2-ylmethyl)-N-pyrazolo[1,5-a]pyridin-5-ylbenzimidazole-5-carboxamide?

2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(oxetan-2-ylmethyl)-N-pyrazolo[1,5-a]pyridin-5-ylbenzimidazole-5-carboxamide has a molecular weight of 680.18 g/mol, XLogP of 6.87, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(oxetan-2-ylmethyl)-N-pyrazolo[1,5-a]pyridin-5-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 168678449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).