N-[(7S)-4-[6-(difluoromethoxy)-5-methoxypyridine-3-carbonyl]-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide

C25H24F5N5O5 — CID 134278656

About N-[(7S)-4-[6-(difluoromethoxy)-5-methoxypyridine-3-carbonyl]-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide

N-[(7S)-4-[6-(difluoromethoxy)-5-methoxypyridine-3-carbonyl]-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide (PubChem CID 134278656) has the molecular formula C25H24F5N5O5 and a molecular weight of 569.49 g/mol. Its IUPAC name is N-[(7S)-4-[6-(difluoromethoxy)-5-methoxypyridine-3-carbonyl]-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: N-[(7S)-4-[6-(difluoromethoxy)-5-methoxypyridine-3-carbonyl]-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide
• PubChem CID: 134278656
• Molecular Formula: C25H24F5N5O5
• Molecular Weight: 569.49 g/mol
• Exact Mass: 569.17
• IUPAC Name: N-[(7S)-4-[6-(difluoromethoxy)-5-methoxypyridine-3-carbonyl]-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide
• SMILES: COc1cc(C(=O)N2CC[C@H](NC(=O)c3ccccc3OC(F)(F)F)c3c2cnn3C(C)C)cnc1OC(F)F
• InChI: InChI=1S/C25H24F5N5O5/c1-13(2)35-20-16(33-21(36)15-6-4-5-7-18(15)40-25(28,29)30)8-9-34(17(20)12-32-35)23(37)14-10-19(38-3)22(31-11-14)39-24(26)27/h4-7,10-13,16,24H,8-9H2,1-3H3,(H,33,36)/t16-/m0/s1
• InChIKey: YNFUIHXPGCBZOB-INIZCTEOSA-N
• XLogP: 4.89
• TPSA: 107.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.49
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(7S)-4-[6-(difluoromethoxy)-5-methoxypyridine-3-carbonyl]-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide?

The IUPAC name of N-[(7S)-4-[6-(difluoromethoxy)-5-methoxypyridine-3-carbonyl]-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide (CID 134278656) is N-[(7S)-4-[6-(difluoromethoxy)-5-methoxypyridine-3-carbonyl]-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide.

What is the SMILES notation for N-[(7S)-4-[6-(difluoromethoxy)-5-methoxypyridine-3-carbonyl]-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide?

The canonical SMILES for N-[(7S)-4-[6-(difluoromethoxy)-5-methoxypyridine-3-carbonyl]-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide is COc1cc(C(=O)N2CC[C@H](NC(=O)c3ccccc3OC(F)(F)F)c3c2cnn3C(C)C)cnc1OC(F)F.

What is the InChIKey of N-[(7S)-4-[6-(difluoromethoxy)-5-methoxypyridine-3-carbonyl]-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide?

The InChIKey is YNFUIHXPGCBZOB-INIZCTEOSA-N. The full InChI is InChI=1S/C25H24F5N5O5/c1-13(2)35-20-16(33-21(36)15-6-4-5-7-18(15)40-25(28,29)30)8-9-34(17(20)12-32-35)23(37)14-10-19(38-3)22(31-11-14)39-24(26)27/h4-7,10-13,16,24H,8-9H2,1-3H3,(H,33,36)/t16-/m0/s1.

What are the key properties of N-[(7S)-4-[6-(difluoromethoxy)-5-methoxypyridine-3-carbonyl]-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide?

N-[(7S)-4-[6-(difluoromethoxy)-5-methoxypyridine-3-carbonyl]-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide has a molecular weight of 569.49 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7S)-4-[6-(difluoromethoxy)-5-methoxypyridine-3-carbonyl]-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 134278656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).