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

C25H19N7OS — CID 137033977

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

N-[5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 137033977) has the molecular formula C25H19N7OS and a molecular weight of 465.54 g/mol. Its IUPAC name is N-[5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-[5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 137033977
• Molecular Formula: C25H19N7OS
• Molecular Weight: 465.54 g/mol
• Exact Mass: 465.14
• IUPAC Name: N-[5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
• SMILES: CCC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccsc6)nccc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C25H19N7OS/c1-2-23(33)29-16-7-15(10-26-11-16)20-8-18-22(12-28-20)31-32-25(18)21-9-17-19(30-21)3-5-27-24(17)14-4-6-34-13-14/h3-13,30H,2H2,1H3,(H,29,33)(H,31,32)
• InChIKey: KQZDTDDGVUZDNJ-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.54
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide (CID 137033977) is N-[5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide.

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

The canonical SMILES for N-[5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccsc6)nccc5[nH]4)n[nH]c3cn2)c1.

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

The InChIKey is KQZDTDDGVUZDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7OS/c1-2-23(33)29-16-7-15(10-26-11-16)20-8-18-22(12-28-20)31-32-25(18)21-9-17-19(30-21)3-5-27-24(17)14-4-6-34-13-14/h3-13,30H,2H2,1H3,(H,29,33)(H,31,32).

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

N-[5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 465.54 g/mol, XLogP of 5.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137033977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).