3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol

C27H25N9O — CID 137257278

About 3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol

3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol (PubChem CID 137257278) has the molecular formula C27H25N9O and a molecular weight of 491.56 g/mol. Its IUPAC name is 3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol.

Molecular Properties

• Compound Name: 3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol
• PubChem CID: 137257278
• Molecular Formula: C27H25N9O
• Molecular Weight: 491.56 g/mol
• Exact Mass: 491.22
• IUPAC Name: 3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol
• SMILES: CC(C)CC(O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C27H25N9O/c1-15(2)7-23(37)32-18-8-16(10-28-12-18)17-9-19-25(35-36-26(19)31-11-17)27-33-22-14-29-13-20(24(22)34-27)21-5-3-4-6-30-21/h3-6,8-15,23,32,37H,7H2,1-2H3,(H,33,34)(H,31,35,36)
• InChIKey: IPQGZWXGXWMIBM-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 141.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.56
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol?

The IUPAC name of 3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol (CID 137257278) is 3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol.

What is the SMILES notation for 3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol?

The canonical SMILES for 3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol is CC(C)CC(O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1.

What is the InChIKey of 3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol?

The InChIKey is IPQGZWXGXWMIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N9O/c1-15(2)7-23(37)32-18-8-16(10-28-12-18)17-9-19-25(35-36-26(19)31-11-17)27-33-22-14-29-13-20(24(22)34-27)21-5-3-4-6-30-21/h3-6,8-15,23,32,37H,7H2,1-2H3,(H,33,34)(H,31,35,36).

What are the key properties of 3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol?

3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol has a molecular weight of 491.56 g/mol, XLogP of 4.80, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]butan-1-ol is sourced from PubChem (CID 137257278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).