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

C29H22N10O — CID 137002167

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

N-[5-[3-[7-(5-methyl-1H-imidazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 137002167) has the molecular formula C29H22N10O and a molecular weight of 526.56 g/mol. Its IUPAC name is N-[5-[3-[7-(5-methyl-1H-imidazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-(5-methyl-1H-imidazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
• PubChem CID: 137002167
• Molecular Formula: C29H22N10O
• Molecular Weight: 526.56 g/mol
• Exact Mass: 526.20
• IUPAC Name: N-[5-[3-[7-(5-methyl-1H-imidazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
• SMILES: Cc1cnc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)Cc7ccccc7)c6)cc45)nc23)[nH]1
• InChI: InChI=1S/C29H22N10O/c1-16-10-33-28(34-16)21-13-31-14-24-26(21)37-29(36-24)27-20-9-22(32-15-23(20)38-39-27)18-8-19(12-30-11-18)35-25(40)7-17-5-3-2-4-6-17/h2-6,8-15H,7H2,1H3,(H,33,34)(H,35,40)(H,36,37)(H,38,39)
• InChIKey: RWNJFEXENAYMQH-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 153.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.56
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[7-(5-methyl-1H-imidazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide (CID 137002167) is N-[5-[3-[7-(5-methyl-1H-imidazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide.

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

The canonical SMILES for N-[5-[3-[7-(5-methyl-1H-imidazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide is Cc1cnc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)Cc7ccccc7)c6)cc45)nc23)[nH]1.

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

The InChIKey is RWNJFEXENAYMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N10O/c1-16-10-33-28(34-16)21-13-31-14-24-26(21)37-29(36-24)27-20-9-22(32-15-23(20)38-39-27)18-8-19(12-30-11-18)35-25(40)7-17-5-3-2-4-6-17/h2-6,8-15H,7H2,1H3,(H,33,34)(H,35,40)(H,36,37)(H,38,39).

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

N-[5-[3-[7-(5-methyl-1H-imidazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 526.56 g/mol, XLogP of 4.84, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-(5-methyl-1H-imidazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 137002167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).