5-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C25H26ClN7O — CID 171530454

About 5-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 171530454) has the molecular formula C25H26ClN7O and a molecular weight of 475.98 g/mol. Its IUPAC name is 5-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 5-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• PubChem CID: 171530454
• Molecular Formula: C25H26ClN7O
• Molecular Weight: 475.98 g/mol
• Exact Mass: 475.19
• IUPAC Name: 5-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• SMILES: COc1ncnc(C2CC2)c1-c1nn(C)c2c1CN(c1ccc(-c3nc(Cl)cn3C)cc1)CC2
• InChI: InChI=1S/C25H26ClN7O/c1-31-13-20(26)29-24(31)16-6-8-17(9-7-16)33-11-10-19-18(12-33)23(30-32(19)2)21-22(15-4-5-15)27-14-28-25(21)34-3/h6-9,13-15H,4-5,10-12H2,1-3H3
• InChIKey: LANRUVXNIKMITI-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 73.89 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.98
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The IUPAC name of 5-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 171530454) is 5-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

What is the SMILES notation for 5-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The canonical SMILES for 5-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is COc1ncnc(C2CC2)c1-c1nn(C)c2c1CN(c1ccc(-c3nc(Cl)cn3C)cc1)CC2.

What is the InChIKey of 5-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The InChIKey is LANRUVXNIKMITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O/c1-31-13-20(26)29-24(31)16-6-8-17(9-7-16)33-11-10-19-18(12-33)23(30-32(19)2)21-22(15-4-5-15)27-14-28-25(21)34-3/h6-9,13-15H,4-5,10-12H2,1-3H3.

What are the key properties of 5-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

5-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 475.98 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 171530454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).