7-(3,4-dichlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxamide

C24H22Cl2N6O2 — CID 72944891

About 7-(3,4-dichlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxamide

7-(3,4-dichlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 72944891) has the molecular formula C24H22Cl2N6O2 and a molecular weight of 497.39 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(3,4-dichlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 72944891
• Molecular Formula: C24H22Cl2N6O2
• Molecular Weight: 497.39 g/mol
• Exact Mass: 496.12
• IUPAC Name: 7-(3,4-dichlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COc1cc(NC(=O)c2nnn3c2CCCC3c2ccc(Cl)c(Cl)c2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C24H22Cl2N6O2/c1-14-12-31(13-27-14)20-9-7-16(11-22(20)34-2)28-24(33)23-21-5-3-4-19(32(21)30-29-23)15-6-8-17(25)18(26)10-15/h6-13,19H,3-5H2,1-2H3,(H,28,33)
• InChIKey: LAQHFRRMSDSQGL-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.39
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 7-(3,4-dichlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxamide (CID 72944891) is 7-(3,4-dichlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 7-(3,4-dichlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 7-(3,4-dichlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxamide is COc1cc(NC(=O)c2nnn3c2CCCC3c2ccc(Cl)c(Cl)c2)ccc1-n1cnc(C)c1.

What is the InChIKey of 7-(3,4-dichlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is LAQHFRRMSDSQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N6O2/c1-14-12-31(13-27-14)20-9-7-16(11-22(20)34-2)28-24(33)23-21-5-3-4-19(32(21)30-29-23)15-6-8-17(25)18(26)10-15/h6-13,19H,3-5H2,1-2H3,(H,28,33).

What are the key properties of 7-(3,4-dichlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxamide?

7-(3,4-dichlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 497.39 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,4-dichlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 72944891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).