N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide

C33H31N7O2S — CID 145247605

About N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide

N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide (PubChem CID 145247605) has the molecular formula C33H31N7O2S and a molecular weight of 589.73 g/mol. Its IUPAC name is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
• PubChem CID: 145247605
• Molecular Formula: C33H31N7O2S
• Molecular Weight: 589.73 g/mol
• Exact Mass: 589.23
• IUPAC Name: N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
• SMILES: CC(=O)c1ccc(-c2nccc3[nH]c(-c4n[nH]c5cc(C)c(-c6cncc(NC(=O)CC7CCNCC7)c6)cc45)cc23)s1
• InChI: InChI=1S/C33H31N7O2S/c1-18-11-27-24(14-23(18)21-13-22(17-35-16-21)37-31(42)12-20-5-8-34-9-6-20)32(40-39-27)28-15-25-26(38-28)7-10-36-33(25)30-4-3-29(43-30)19(2)41/h3-4,7,10-11,13-17,20,34,38H,5-6,8-9,12H2,1-2H3,(H,37,42)(H,39,40)
• InChIKey: IZYJKXYTGGVZRM-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 128.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.73
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide?

The IUPAC name of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide (CID 145247605) is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide.

What is the SMILES notation for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide?

The canonical SMILES for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide is CC(=O)c1ccc(-c2nccc3[nH]c(-c4n[nH]c5cc(C)c(-c6cncc(NC(=O)CC7CCNCC7)c6)cc45)cc23)s1.

What is the InChIKey of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide?

The InChIKey is IZYJKXYTGGVZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N7O2S/c1-18-11-27-24(14-23(18)21-13-22(17-35-16-21)37-31(42)12-20-5-8-34-9-6-20)32(40-39-27)28-15-25-26(38-28)7-10-36-33(25)30-4-3-29(43-30)19(2)41/h3-4,7,10-11,13-17,20,34,38H,5-6,8-9,12H2,1-2H3,(H,37,42)(H,39,40).

What are the key properties of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide?

N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide has a molecular weight of 589.73 g/mol, XLogP of 6.74, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 145247605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).