N-[3-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-piperidin-4-ylacetamide

C32H30N6O2 — CID 145254169

About N-[3-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-piperidin-4-ylacetamide

N-[3-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-piperidin-4-ylacetamide (PubChem CID 145254169) has the molecular formula C32H30N6O2 and a molecular weight of 530.63 g/mol. Its IUPAC name is N-[3-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-piperidin-4-ylacetamide.

Molecular Properties

• Compound Name: N-[3-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-piperidin-4-ylacetamide
• PubChem CID: 145254169
• Molecular Formula: C32H30N6O2
• Molecular Weight: 530.63 g/mol
• Exact Mass: 530.24
• IUPAC Name: N-[3-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-piperidin-4-ylacetamide
• SMILES: Cc1cc(NC(=O)CC2CCNCC2)cc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)ccnc5[nH]4)c3c2)c1
• InChI: InChI=1S/C32H30N6O2/c1-19-12-23(15-24(13-19)35-30(39)14-20-4-8-33-9-5-20)21-2-3-28-27(16-21)31(38-37-28)29-17-26-25(22-7-11-40-18-22)6-10-34-32(26)36-29/h2-3,6-7,10-13,15-18,20,33H,4-5,8-9,14H2,1H3,(H,34,36)(H,35,39)(H,37,38)
• InChIKey: WPPIZVZTMJHWOI-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 111.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.63
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-piperidin-4-ylacetamide?

The IUPAC name of N-[3-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-piperidin-4-ylacetamide (CID 145254169) is N-[3-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-piperidin-4-ylacetamide.

What is the SMILES notation for N-[3-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-piperidin-4-ylacetamide?

The canonical SMILES for N-[3-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-piperidin-4-ylacetamide is Cc1cc(NC(=O)CC2CCNCC2)cc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)ccnc5[nH]4)c3c2)c1.

What is the InChIKey of N-[3-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-piperidin-4-ylacetamide?

The InChIKey is WPPIZVZTMJHWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N6O2/c1-19-12-23(15-24(13-19)35-30(39)14-20-4-8-33-9-5-20)21-2-3-28-27(16-21)31(38-37-28)29-17-26-25(22-7-11-40-18-22)6-10-34-32(26)36-29/h2-3,6-7,10-13,15-18,20,33H,4-5,8-9,14H2,1H3,(H,34,36)(H,35,39)(H,37,38).

What are the key properties of N-[3-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-piperidin-4-ylacetamide?

N-[3-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-piperidin-4-ylacetamide has a molecular weight of 530.63 g/mol, XLogP of 6.67, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-5-methylphenyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 145254169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).