N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide

C28H22N6O2 — CID 136509612

About N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide

N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 136509612) has the molecular formula C28H22N6O2 and a molecular weight of 474.52 g/mol. Its IUPAC name is N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• PubChem CID: 136509612
• Molecular Formula: C28H22N6O2
• Molecular Weight: 474.52 g/mol
• Exact Mass: 474.18
• IUPAC Name: N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• SMILES: O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)cccc5[nH]4)c3c2)c1)C1CCC1
• InChI: InChI=1S/C28H22N6O2/c35-28(16-3-1-4-16)30-20-11-19(13-29-14-20)17-7-8-23-22(12-17)26(34-33-23)27-31-24-6-2-5-21(25(24)32-27)18-9-10-36-15-18/h2,5-16H,1,3-4H2,(H,30,35)(H,31,32)(H,33,34)
• InChIKey: CJOLNWKBEBNTQL-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 112.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.52
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The IUPAC name of N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide (CID 136509612) is N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

What is the SMILES notation for N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The canonical SMILES for N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)cccc5[nH]4)c3c2)c1)C1CCC1.

What is the InChIKey of N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The InChIKey is CJOLNWKBEBNTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O2/c35-28(16-3-1-4-16)30-20-11-19(13-29-14-20)17-7-8-23-22(12-17)26(34-33-23)27-31-24-6-2-5-21(25(24)32-27)18-9-10-36-15-18/h2,5-16H,1,3-4H2,(H,30,35)(H,31,32)(H,33,34).

What are the key properties of N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 474.52 g/mol, XLogP of 6.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 136509612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).