N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1-[2-methyl-5-[3-methyl-1-(2-phenylethyl)-4-phenylmethoxypyrazol-5-yl]-1,2,4-triazol-3-yl]pyrazolo[5,4-c]pyridine-3-carboxamide

C39H39N9O4 — CID 170354822

About N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1-[2-methyl-5-[3-methyl-1-(2-phenylethyl)-4-phenylmethoxypyrazol-5-yl]-1,2,4-triazol-3-yl]pyrazolo[5,4-c]pyridine-3-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1-[2-methyl-5-[3-methyl-1-(2-phenylethyl)-4-phenylmethoxypyrazol-5-yl]-1,2,4-triazol-3-yl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 170354822) has the molecular formula C39H39N9O4 and a molecular weight of 697.80 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1-[2-methyl-5-[3-methyl-1-(2-phenylethyl)-4-phenylmethoxypyrazol-5-yl]-1,2,4-triazol-3-yl]pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1-[2-methyl-5-[3-methyl-1-(2-phenylethyl)-4-phenylmethoxypyrazol-5-yl]-1,2,4-triazol-3-yl]pyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 170354822
• Molecular Formula: C39H39N9O4
• Molecular Weight: 697.80 g/mol
• Exact Mass: 697.31
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1-[2-methyl-5-[3-methyl-1-(2-phenylethyl)-4-phenylmethoxypyrazol-5-yl]-1,2,4-triazol-3-yl]pyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: COc1ccc(CNC(=O)c2nn(-c3nc(-c4c(OCc5ccccc5)c(C)nn4CCc4ccccc4)nn3C)c3cnc(C)cc23)c(OC)c1
• InChI: InChI=1S/C39H39N9O4/c1-25-20-31-32(23-40-25)48(44-34(31)38(49)41-22-29-16-17-30(50-4)21-33(29)51-5)39-42-37(45-46(39)3)35-36(52-24-28-14-10-7-11-15-28)26(2)43-47(35)19-18-27-12-8-6-9-13-27/h6-17,20-21,23H,18-19,22,24H2,1-5H3,(H,41,49)
• InChIKey: QSJVKOMKLDXCFW-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 136.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	697.80
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1-[2-methyl-5-[3-methyl-1-(2-phenylethyl)-4-phenylmethoxypyrazol-5-yl]-1,2,4-triazol-3-yl]pyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1-[2-methyl-5-[3-methyl-1-(2-phenylethyl)-4-phenylmethoxypyrazol-5-yl]-1,2,4-triazol-3-yl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 170354822) is N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1-[2-methyl-5-[3-methyl-1-(2-phenylethyl)-4-phenylmethoxypyrazol-5-yl]-1,2,4-triazol-3-yl]pyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1-[2-methyl-5-[3-methyl-1-(2-phenylethyl)-4-phenylmethoxypyrazol-5-yl]-1,2,4-triazol-3-yl]pyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1-[2-methyl-5-[3-methyl-1-(2-phenylethyl)-4-phenylmethoxypyrazol-5-yl]-1,2,4-triazol-3-yl]pyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2nn(-c3nc(-c4c(OCc5ccccc5)c(C)nn4CCc4ccccc4)nn3C)c3cnc(C)cc23)c(OC)c1.

What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1-[2-methyl-5-[3-methyl-1-(2-phenylethyl)-4-phenylmethoxypyrazol-5-yl]-1,2,4-triazol-3-yl]pyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is QSJVKOMKLDXCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39N9O4/c1-25-20-31-32(23-40-25)48(44-34(31)38(49)41-22-29-16-17-30(50-4)21-33(29)51-5)39-42-37(45-46(39)3)35-36(52-24-28-14-10-7-11-15-28)26(2)43-47(35)19-18-27-12-8-6-9-13-27/h6-17,20-21,23H,18-19,22,24H2,1-5H3,(H,41,49).

What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1-[2-methyl-5-[3-methyl-1-(2-phenylethyl)-4-phenylmethoxypyrazol-5-yl]-1,2,4-triazol-3-yl]pyrazolo[5,4-c]pyridine-3-carboxamide?

N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1-[2-methyl-5-[3-methyl-1-(2-phenylethyl)-4-phenylmethoxypyrazol-5-yl]-1,2,4-triazol-3-yl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 697.80 g/mol, XLogP of 5.80, 13 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1-[2-methyl-5-[3-methyl-1-(2-phenylethyl)-4-phenylmethoxypyrazol-5-yl]-1,2,4-triazol-3-yl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 170354822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).