[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol;[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate

C37H32F3N7O3 — CID 160899091

About [3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol;[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate

[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol;[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate (PubChem CID 160899091) has the molecular formula C37H32F3N7O3 and a molecular weight of 679.70 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol;[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate.

Molecular Properties

• Compound Name: [3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol;[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate
• PubChem CID: 160899091
• Molecular Formula: C37H32F3N7O3
• Molecular Weight: 679.70 g/mol
• Exact Mass: 679.25
• IUPAC Name: [3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol;[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate
• SMILES: C[C@H](NC(=O)OCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1.OCc1nc2cccnc2n1Cc1ccc(F)cc1
• InChI: InChI=1S/C23H20F2N4O2.C14H12FN3O/c1-15(17-6-10-19(25)11-7-17)27-23(30)31-14-21-28-20-3-2-12-26-22(20)29(21)13-16-4-8-18(24)9-5-16;15-11-5-3-10(4-6-11)8-18-13(9-19)17-12-2-1-7-16-14(12)18/h2-12,15H,13-14H2,1H3,(H,27,30);1-7,19H,8-9H2/t15-;/m0./s1
• InChIKey: SPGLKNXESFTNKG-RSAXXLAASA-N
• XLogP: 6.86
• TPSA: 119.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.70
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol;[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate?

The IUPAC name of [3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol;[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate (CID 160899091) is [3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol;[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate.

What is the SMILES notation for [3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol;[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate?

The canonical SMILES for [3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol;[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate is C[C@H](NC(=O)OCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1.OCc1nc2cccnc2n1Cc1ccc(F)cc1.

What is the InChIKey of [3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol;[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate?

The InChIKey is SPGLKNXESFTNKG-RSAXXLAASA-N. The full InChI is InChI=1S/C23H20F2N4O2.C14H12FN3O/c1-15(17-6-10-19(25)11-7-17)27-23(30)31-14-21-28-20-3-2-12-26-22(20)29(21)13-16-4-8-18(24)9-5-16;15-11-5-3-10(4-6-11)8-18-13(9-19)17-12-2-1-7-16-14(12)18/h2-12,15H,13-14H2,1H3,(H,27,30);1-7,19H,8-9H2/t15-;/m0./s1.

What are the key properties of [3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol;[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate?

[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol;[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate has a molecular weight of 679.70 g/mol, XLogP of 6.86, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanol;[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl N-[(1S)-1-(4-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 160899091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).