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

C26H20N8O2 — CID 137312224

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

N-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 137312224) has the molecular formula C26H20N8O2 and a molecular weight of 476.50 g/mol. Its IUPAC name is N-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• PubChem CID: 137312224
• Molecular Formula: C26H20N8O2
• Molecular Weight: 476.50 g/mol
• Exact Mass: 476.17
• IUPAC Name: N-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• SMILES: O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3n2)c1)C1CCC1
• InChI: InChI=1S/C26H20N8O2/c35-26(14-2-1-3-14)29-17-10-16(11-27-12-17)18-4-5-20-23(30-18)24(34-33-20)25-31-19-6-8-28-21(22(19)32-25)15-7-9-36-13-15/h4-14H,1-3H2,(H,29,35)(H,31,32)(H,33,34)
• InChIKey: HDVNJYBMJAMFLW-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 138.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.50
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide (CID 137312224) is N-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

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

The canonical SMILES for N-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3n2)c1)C1CCC1.

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

The InChIKey is HDVNJYBMJAMFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N8O2/c35-26(14-2-1-3-14)29-17-10-16(11-27-12-17)18-4-5-20-23(30-18)24(34-33-20)25-31-19-6-8-28-21(22(19)32-25)15-7-9-36-13-15/h4-14H,1-3H2,(H,29,35)(H,31,32)(H,33,34).

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

N-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 476.50 g/mol, XLogP of 4.96, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 137312224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).