N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide

C27H22N6OS — CID 137113851

About N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide

N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide (PubChem CID 137113851) has the molecular formula C27H22N6OS and a molecular weight of 478.58 g/mol. Its IUPAC name is N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

• Compound Name: N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
• PubChem CID: 137113851
• Molecular Formula: C27H22N6OS
• Molecular Weight: 478.58 g/mol
• Exact Mass: 478.16
• IUPAC Name: N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
• SMILES: CCCC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccsc6)cccc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C27H22N6OS/c1-2-4-26(34)30-18-9-17(12-28-13-18)23-11-21-25(14-29-23)32-33-27(21)24-10-20-19(16-7-8-35-15-16)5-3-6-22(20)31-24/h3,5-15,31H,2,4H2,1H3,(H,30,34)(H,32,33)
• InChIKey: RQEMRERMUFQHSZ-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 99.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.58
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide?

The IUPAC name of N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide (CID 137113851) is N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide.

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

The canonical SMILES for N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide is CCCC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccsc6)cccc5[nH]4)n[nH]c3cn2)c1.

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

The InChIKey is RQEMRERMUFQHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6OS/c1-2-4-26(34)30-18-9-17(12-28-13-18)23-11-21-25(14-29-23)32-33-27(21)24-10-20-19(16-7-8-35-15-16)5-3-6-22(20)31-24/h3,5-15,31H,2,4H2,1H3,(H,30,34)(H,32,33).

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

N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide has a molecular weight of 478.58 g/mol, XLogP of 6.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 137113851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).