N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide

C30H26N8O2S — CID 137042264

About N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide

N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 137042264) has the molecular formula C30H26N8O2S and a molecular weight of 562.66 g/mol. Its IUPAC name is N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
• PubChem CID: 137042264
• Molecular Formula: C30H26N8O2S
• Molecular Weight: 562.66 g/mol
• Exact Mass: 562.19
• IUPAC Name: N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
• SMILES: CC(=O)c1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCCCC7)c6)nc45)[nH]c23)s1
• InChI: InChI=1S/C30H26N8O2S/c1-16(39)23-9-10-24(41-23)20-11-12-32-28-25(20)35-29(36-28)27-26-22(37-38-27)8-7-21(34-26)18-13-19(15-31-14-18)33-30(40)17-5-3-2-4-6-17/h7-15,17H,2-6H2,1H3,(H,33,40)(H,37,38)(H,32,35,36)
• InChIKey: HJLCEBZYDUNXQF-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 142.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.66
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

The IUPAC name of N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 137042264) is N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

What is the SMILES notation for N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

The canonical SMILES for N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide is CC(=O)c1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCCCC7)c6)nc45)[nH]c23)s1.

What is the InChIKey of N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

The InChIKey is HJLCEBZYDUNXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N8O2S/c1-16(39)23-9-10-24(41-23)20-11-12-32-28-25(20)35-29(36-28)27-26-22(37-38-27)8-7-21(34-26)18-13-19(15-31-14-18)33-30(40)17-5-3-2-4-6-17/h7-15,17H,2-6H2,1H3,(H,33,40)(H,37,38)(H,32,35,36).

What are the key properties of N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?

N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 562.66 g/mol, XLogP of 6.41, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 137042264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).