3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine

C24H22N6O — CID 178075774

About 3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine

3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 178075774) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

• Compound Name: 3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
• PubChem CID: 178075774
• Molecular Formula: C24H22N6O
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.19
• IUPAC Name: 3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
• SMILES: COc1cc(Nc2nccc3n[nH]c(Cc4ccccc4)c23)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C24H22N6O/c1-16-14-30(15-26-16)21-9-8-18(13-22(21)31-2)27-24-23-19(10-11-25-24)28-29-20(23)12-17-6-4-3-5-7-17/h3-11,13-15H,12H2,1-2H3,(H,25,27)(H,28,29)
• InChIKey: PBUMRQPTSIQLIC-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 80.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?

The IUPAC name of 3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine (CID 178075774) is 3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine.

What is the SMILES notation for 3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?

The canonical SMILES for 3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine is COc1cc(Nc2nccc3n[nH]c(Cc4ccccc4)c23)ccc1-n1cnc(C)c1.

What is the InChIKey of 3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?

The InChIKey is PBUMRQPTSIQLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-16-14-30(15-26-16)21-9-8-18(13-22(21)31-2)27-24-23-19(10-11-25-24)28-29-20(23)12-17-6-4-3-5-7-17/h3-11,13-15H,12H2,1-2H3,(H,25,27)(H,28,29).

What are the key properties of 3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?

3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 410.48 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 178075774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).