N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide

C31H28N6O2 — CID 137116045

About N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide

N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide (PubChem CID 137116045) has the molecular formula C31H28N6O2 and a molecular weight of 516.61 g/mol. Its IUPAC name is N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
• PubChem CID: 137116045
• Molecular Formula: C31H28N6O2
• Molecular Weight: 516.61 g/mol
• Exact Mass: 516.23
• IUPAC Name: N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
• SMILES: O=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)cccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C31H28N6O2/c38-30(12-19-6-9-32-10-7-19)34-23-13-22(16-33-17-23)20-4-5-28-26(14-20)31(37-36-28)29-15-25-24(21-8-11-39-18-21)2-1-3-27(25)35-29/h1-5,8,11,13-19,32,35H,6-7,9-10,12H2,(H,34,38)(H,36,37)
• InChIKey: ZFFRVMUXVOQFIF-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 111.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.61
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide (CID 137116045) is N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide.

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

The canonical SMILES for N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide is O=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)cccc5[nH]4)c3c2)c1.

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

The InChIKey is ZFFRVMUXVOQFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O2/c38-30(12-19-6-9-32-10-7-19)34-23-13-22(16-33-17-23)20-4-5-28-26(14-20)31(37-36-28)29-15-25-24(21-8-11-39-18-21)2-1-3-27(25)35-29/h1-5,8,11,13-19,32,35H,6-7,9-10,12H2,(H,34,38)(H,36,37).

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

N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide has a molecular weight of 516.61 g/mol, XLogP of 6.36, 6 rotatable bonds, 4 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-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 137116045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).