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

C28H18N8O2 — CID 136943645

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

N-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide (PubChem CID 136943645) has the molecular formula C28H18N8O2 and a molecular weight of 498.51 g/mol. Its IUPAC name is N-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
• PubChem CID: 136943645
• Molecular Formula: C28H18N8O2
• Molecular Weight: 498.51 g/mol
• Exact Mass: 498.16
• IUPAC Name: N-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
• SMILES: O=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6ccoc6)nccc5[nH]4)n[nH]c3cn2)c1)c1ccccc1
• InChI: InChI=1S/C28H18N8O2/c37-28(16-4-2-1-3-5-16)32-19-10-18(12-29-13-19)22-11-20-23(14-31-22)35-36-25(20)27-33-21-6-8-30-24(26(21)34-27)17-7-9-38-15-17/h1-15H,(H,32,37)(H,33,34)(H,35,36)
• InChIKey: ZYRNCNZOQOQBIU-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 138.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.51
LogP ≤ 5	5.47
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[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide?

The IUPAC name of N-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide (CID 136943645) is N-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide.

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

The canonical SMILES for N-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide is O=C(Nc1cncc(-c2cc3c(-c4nc5c(-c6ccoc6)nccc5[nH]4)n[nH]c3cn2)c1)c1ccccc1.

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

The InChIKey is ZYRNCNZOQOQBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N8O2/c37-28(16-4-2-1-3-5-16)32-19-10-18(12-29-13-19)22-11-20-23(14-31-22)35-36-25(20)27-33-21-6-8-30-24(26(21)34-27)17-7-9-38-15-17/h1-15H,(H,32,37)(H,33,34)(H,35,36).

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

N-[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide has a molecular weight of 498.51 g/mol, XLogP of 5.47, 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[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 136943645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).