[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone

C23H24N6O2 — CID 176505977

About [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone

[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone (PubChem CID 176505977) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone.

Molecular Properties

• Compound Name: [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
• PubChem CID: 176505977
• Molecular Formula: C23H24N6O2
• Molecular Weight: 416.49 g/mol
• Exact Mass: 416.20
• IUPAC Name: [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
• SMILES: Cn1ccnc1C(O)C1CCN(C(=O)c2cnc3c(c2)ncn3-c2ccccc2)CC1
• InChI: InChI=1S/C23H24N6O2/c1-27-12-9-24-22(27)20(30)16-7-10-28(11-8-16)23(31)17-13-19-21(25-14-17)29(15-26-19)18-5-3-2-4-6-18/h2-6,9,12-16,20,30H,7-8,10-11H2,1H3
• InChIKey: CFXBZBCMUMZJBG-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 89.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.49
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone?

The IUPAC name of [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone (CID 176505977) is [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone.

What is the SMILES notation for [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone?

The canonical SMILES for [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone is Cn1ccnc1C(O)C1CCN(C(=O)c2cnc3c(c2)ncn3-c2ccccc2)CC1.

What is the InChIKey of [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone?

The InChIKey is CFXBZBCMUMZJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-27-12-9-24-22(27)20(30)16-7-10-28(11-8-16)23(31)17-13-19-21(25-14-17)29(15-26-19)18-5-3-2-4-6-18/h2-6,9,12-16,20,30H,7-8,10-11H2,1H3.

What are the key properties of [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone?

[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone has a molecular weight of 416.49 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone is sourced from PubChem (CID 176505977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).