[4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol

C23H21N7O — CID 171495357

About [4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol

[4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol (PubChem CID 171495357) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is [4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol.

Molecular Properties

• Compound Name: [4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
• PubChem CID: 171495357
• Molecular Formula: C23H21N7O
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.18
• IUPAC Name: [4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
• SMILES: Cc1nn(C)cc1-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CO)cc3)c2n1
• InChI: InChI=1S/C23H21N7O/c1-14-18(12-29(2)28-14)19-9-10-20-23(26-19)30(16-7-5-15(13-31)6-8-16)22(27-20)17-4-3-11-25-21(17)24/h3-12,31H,13H2,1-2H3,(H2,24,25)
• InChIKey: ARTUBWFMSNSKIH-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 107.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?

The IUPAC name of [4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol (CID 171495357) is [4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol.

What is the SMILES notation for [4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?

The canonical SMILES for [4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol is Cc1nn(C)cc1-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CO)cc3)c2n1.

What is the InChIKey of [4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?

The InChIKey is ARTUBWFMSNSKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-14-18(12-29(2)28-14)19-9-10-20-23(26-19)30(16-7-5-15(13-31)6-8-16)22(27-20)17-4-3-11-25-21(17)24/h3-12,31H,13H2,1-2H3,(H2,24,25).

What are the key properties of [4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol?

[4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol has a molecular weight of 411.47 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol is sourced from PubChem (CID 171495357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).