5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide

C27H24F2N6O2 — CID 171803536

About 5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide

5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide (PubChem CID 171803536) has the molecular formula C27H24F2N6O2 and a molecular weight of 502.53 g/mol. Its IUPAC name is 5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: 5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide
• PubChem CID: 171803536
• Molecular Formula: C27H24F2N6O2
• Molecular Weight: 502.53 g/mol
• Exact Mass: 502.19
• IUPAC Name: 5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide
• SMILES: COc1ccc(F)cc1C(=O)NCc1ccc(-c2ccnc3nc(-c4cnn(C(C)C)c4)[nH]c23)cc1F
• InChI: InChI=1S/C27H24F2N6O2/c1-15(2)35-14-18(13-32-35)25-33-24-20(8-9-30-26(24)34-25)16-4-5-17(22(29)10-16)12-31-27(36)21-11-19(28)6-7-23(21)37-3/h4-11,13-15H,12H2,1-3H3,(H,31,36)(H,30,33,34)
• InChIKey: SRZVGYVYMPIHPT-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 97.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.53
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide?

The IUPAC name of 5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide (CID 171803536) is 5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide.

What is the SMILES notation for 5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide?

The canonical SMILES for 5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide is COc1ccc(F)cc1C(=O)NCc1ccc(-c2ccnc3nc(-c4cnn(C(C)C)c4)[nH]c23)cc1F.

What is the InChIKey of 5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide?

The InChIKey is SRZVGYVYMPIHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N6O2/c1-15(2)35-14-18(13-32-35)25-33-24-20(8-9-30-26(24)34-25)16-4-5-17(22(29)10-16)12-31-27(36)21-11-19(28)6-7-23(21)37-3/h4-11,13-15H,12H2,1-3H3,(H,31,36)(H,30,33,34).

What are the key properties of 5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide?

5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide has a molecular weight of 502.53 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-[[2-fluoro-4-[2-(1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 171803536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).