N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide

C30H26N6O2S — CID 137115161

About N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide

N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide (PubChem CID 137115161) has the molecular formula C30H26N6O2S and a molecular weight of 534.65 g/mol. Its IUPAC name is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide
• PubChem CID: 137115161
• Molecular Formula: C30H26N6O2S
• Molecular Weight: 534.65 g/mol
• Exact Mass: 534.18
• IUPAC Name: N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide
• SMILES: CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(C(C)=O)s6)cccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C30H26N6O2S/c1-3-4-8-28(38)32-19-13-18(15-31-16-19)22-9-10-24-29(34-22)30(36-35-24)25-14-21-20(6-5-7-23(21)33-25)27-12-11-26(39-27)17(2)37/h5-7,9-16,33H,3-4,8H2,1-2H3,(H,32,38)(H,35,36)
• InChIKey: BCIAPJHCPZIXSA-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 116.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.65
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide (CID 137115161) is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide.

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

The canonical SMILES for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(C(C)=O)s6)cccc5[nH]4)c3n2)c1.

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

The InChIKey is BCIAPJHCPZIXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O2S/c1-3-4-8-28(38)32-19-13-18(15-31-16-19)22-9-10-24-29(34-22)30(36-35-24)25-14-21-20(6-5-7-23(21)33-25)27-12-11-26(39-27)17(2)37/h5-7,9-16,33H,3-4,8H2,1-2H3,(H,32,38)(H,35,36).

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

N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 534.65 g/mol, XLogP of 7.23, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 137115161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).