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

C27H21N9O — CID 137055536

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

N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 137055536) has the molecular formula C27H21N9O and a molecular weight of 487.53 g/mol. Its IUPAC name is N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• PubChem CID: 137055536
• Molecular Formula: C27H21N9O
• Molecular Weight: 487.53 g/mol
• Exact Mass: 487.19
• IUPAC Name: N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• SMILES: O=C(Nc1cncc(-c2cc3c(-c4nc5nccc(-c6ccccn6)c5[nH]4)n[nH]c3cn2)c1)C1CCC1
• InChI: InChI=1S/C27H21N9O/c37-27(15-4-3-5-15)32-17-10-16(12-28-13-17)21-11-19-22(14-31-21)35-36-24(19)26-33-23-18(7-9-30-25(23)34-26)20-6-1-2-8-29-20/h1-2,6-15H,3-5H2,(H,32,37)(H,35,36)(H,30,33,34)
• InChIKey: MUTVHAUIBLRIFY-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 138.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.53
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide (CID 137055536) is N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

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

The canonical SMILES for N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide is O=C(Nc1cncc(-c2cc3c(-c4nc5nccc(-c6ccccn6)c5[nH]4)n[nH]c3cn2)c1)C1CCC1.

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

The InChIKey is MUTVHAUIBLRIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N9O/c37-27(15-4-3-5-15)32-17-10-16(12-28-13-17)21-11-19-22(14-31-21)35-36-24(19)26-33-23-18(7-9-30-25(23)34-26)20-6-1-2-8-29-20/h1-2,6-15H,3-5H2,(H,32,37)(H,35,36)(H,30,33,34).

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

N-[5-[3-(7-pyridin-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 487.53 g/mol, XLogP of 4.76, 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-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 137055536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).