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

C32H29N7O2S — CID 136937763

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

N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-cyclohexylacetamide (PubChem CID 136937763) has the molecular formula C32H29N7O2S and a molecular weight of 575.70 g/mol. Its IUPAC name is N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-cyclohexylacetamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-cyclohexylacetamide
• PubChem CID: 136937763
• Molecular Formula: C32H29N7O2S
• Molecular Weight: 575.70 g/mol
• Exact Mass: 575.21
• IUPAC Name: N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-cyclohexylacetamide
• SMILES: CC(=O)c1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC7CCCCC7)c6)cc45)[nH]c23)s1
• InChI: InChI=1S/C32H29N7O2S/c1-18(40)26-9-10-27(42-26)23-11-12-34-31-29(23)36-32(37-31)30-24-15-20(7-8-25(24)38-39-30)21-14-22(17-33-16-21)35-28(41)13-19-5-3-2-4-6-19/h7-12,14-17,19H,2-6,13H2,1H3,(H,35,41)(H,38,39)(H,34,36,37)
• InChIKey: OSQDBYMUCTXDLA-UHFFFAOYSA-N
• XLogP: 7.40
• TPSA: 129.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.70
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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-indazol-5-yl]-3-pyridinyl]-2-cyclohexylacetamide?

The IUPAC name of N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-cyclohexylacetamide (CID 136937763) is N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-cyclohexylacetamide.

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

The canonical SMILES for N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-cyclohexylacetamide is CC(=O)c1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC7CCCCC7)c6)cc45)[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-indazol-5-yl]-3-pyridinyl]-2-cyclohexylacetamide?

The InChIKey is OSQDBYMUCTXDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N7O2S/c1-18(40)26-9-10-27(42-26)23-11-12-34-31-29(23)36-32(37-31)30-24-15-20(7-8-25(24)38-39-30)21-14-22(17-33-16-21)35-28(41)13-19-5-3-2-4-6-19/h7-12,14-17,19H,2-6,13H2,1H3,(H,35,41)(H,38,39)(H,34,36,37).

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

N-[5-[3-[7-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-cyclohexylacetamide has a molecular weight of 575.70 g/mol, XLogP of 7.40, 7 rotatable bonds, 3 hydrogen bond donors, and 7 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-indazol-5-yl]-3-pyridinyl]-2-cyclohexylacetamide is sourced from PubChem (CID 136937763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).