N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide

C29H25N9O — CID 137055291

About N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide

N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 137055291) has the molecular formula C29H25N9O and a molecular weight of 515.58 g/mol. Its IUPAC name is N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
• PubChem CID: 137055291
• Molecular Formula: C29H25N9O
• Molecular Weight: 515.58 g/mol
• Exact Mass: 515.22
• IUPAC Name: N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
• SMILES: O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccncc6)c5[nH]4)c3c2)c1)C1CCCCC1
• InChI: InChI=1S/C29H25N9O/c39-29(18-4-2-1-3-5-18)34-21-12-19(14-31-16-21)20-13-23-25(37-38-26(23)33-15-20)28-35-24-22(8-11-32-27(24)36-28)17-6-9-30-10-7-17/h6-16,18H,1-5H2,(H,34,39)(H,32,35,36)(H,33,37,38)
• InChIKey: PQDHMKHNBPKPMJ-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 138.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.58
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

The IUPAC name of N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 137055291) is N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

What is the SMILES notation for N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

The canonical SMILES for N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide is O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccncc6)c5[nH]4)c3c2)c1)C1CCCCC1.

What is the InChIKey of N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

The InChIKey is PQDHMKHNBPKPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N9O/c39-29(18-4-2-1-3-5-18)34-21-12-19(14-31-16-21)20-13-23-25(37-38-26(23)33-15-20)28-35-24-22(8-11-32-27(24)36-28)17-6-9-30-10-7-17/h6-16,18H,1-5H2,(H,34,39)(H,32,35,36)(H,33,37,38).

What are the key properties of N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 515.58 g/mol, XLogP of 5.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 137055291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).