4-[2-(hydroxymethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]adamantan-1-ol

C21H26N6O2 — CID 175206591

About 4-[2-(hydroxymethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]adamantan-1-ol

4-[2-(hydroxymethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]adamantan-1-ol (PubChem CID 175206591) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]adamantan-1-ol.

Molecular Properties

• Compound Name: 4-[2-(hydroxymethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]adamantan-1-ol
• PubChem CID: 175206591
• Molecular Formula: C21H26N6O2
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.21
• IUPAC Name: 4-[2-(hydroxymethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]adamantan-1-ol
• SMILES: Cc1cc(Nc2ccc3nc(CO)n(C4C5CC6CC4CC(O)(C6)C5)c3n2)n[nH]1
• InChI: InChI=1S/C21H26N6O2/c1-11-4-17(26-25-11)23-16-3-2-15-20(24-16)27(18(10-28)22-15)19-13-5-12-6-14(19)9-21(29,7-12)8-13/h2-4,12-14,19,28-29H,5-10H2,1H3,(H2,23,24,25,26)
• InChIKey: BZVNUVFCAXZBSW-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 111.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]adamantan-1-ol?

The IUPAC name of 4-[2-(hydroxymethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]adamantan-1-ol (CID 175206591) is 4-[2-(hydroxymethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]adamantan-1-ol.

What is the SMILES notation for 4-[2-(hydroxymethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]adamantan-1-ol?

The canonical SMILES for 4-[2-(hydroxymethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]adamantan-1-ol is Cc1cc(Nc2ccc3nc(CO)n(C4C5CC6CC4CC(O)(C6)C5)c3n2)n[nH]1.

What is the InChIKey of 4-[2-(hydroxymethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]adamantan-1-ol?

The InChIKey is BZVNUVFCAXZBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-11-4-17(26-25-11)23-16-3-2-15-20(24-16)27(18(10-28)22-15)19-13-5-12-6-14(19)9-21(29,7-12)8-13/h2-4,12-14,19,28-29H,5-10H2,1H3,(H2,23,24,25,26).

What are the key properties of 4-[2-(hydroxymethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]adamantan-1-ol?

4-[2-(hydroxymethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]adamantan-1-ol has a molecular weight of 394.48 g/mol, XLogP of 2.81, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(hydroxymethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]adamantan-1-ol is sourced from PubChem (CID 175206591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).