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

C30H22N8OS — CID 137056236

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

N-[5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 137056236) has the molecular formula C30H22N8OS and a molecular weight of 542.63 g/mol. Its IUPAC name is N-[5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
• PubChem CID: 137056236
• Molecular Formula: C30H22N8OS
• Molecular Weight: 542.63 g/mol
• Exact Mass: 542.16
• IUPAC Name: N-[5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
• SMILES: Cc1ccc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(NC(=O)Cc7ccccc7)c6)cc45)[nH]c23)s1
• InChI: InChI=1S/C30H22N8OS/c1-17-7-8-24(40-17)22-9-10-32-29-26(22)35-30(36-29)27-23-13-20(15-33-28(23)38-37-27)19-12-21(16-31-14-19)34-25(39)11-18-5-3-2-4-6-18/h2-10,12-16H,11H2,1H3,(H,34,39)(H,32,35,36)(H,33,37,38)
• InChIKey: QVFVHKDNTDYQOG-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.63
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide (CID 137056236) is N-[5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide.

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

The canonical SMILES for N-[5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide is Cc1ccc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(NC(=O)Cc7ccccc7)c6)cc45)[nH]c23)s1.

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

The InChIKey is QVFVHKDNTDYQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N8OS/c1-17-7-8-24(40-17)22-9-10-32-29-26(22)35-30(36-29)27-23-13-20(15-33-28(23)38-37-27)19-12-21(16-31-14-19)34-25(39)11-18-5-3-2-4-6-18/h2-10,12-16H,11H2,1H3,(H,34,39)(H,32,35,36)(H,33,37,38).

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

N-[5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 542.63 g/mol, XLogP of 6.18, 6 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-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 137056236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).