1-(1-aminoisoquinolin-4-yl)-N-[5-chloro-2-methyl-6-(1-methylpyrazol-3-yl)-1,2-dihydropyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C24H20ClF3N8O — CID 135169934

About 1-(1-aminoisoquinolin-4-yl)-N-[5-chloro-2-methyl-6-(1-methylpyrazol-3-yl)-1,2-dihydropyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(1-aminoisoquinolin-4-yl)-N-[5-chloro-2-methyl-6-(1-methylpyrazol-3-yl)-1,2-dihydropyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 135169934) has the molecular formula C24H20ClF3N8O and a molecular weight of 528.93 g/mol. Its IUPAC name is 1-(1-aminoisoquinolin-4-yl)-N-[5-chloro-2-methyl-6-(1-methylpyrazol-3-yl)-1,2-dihydropyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(1-aminoisoquinolin-4-yl)-N-[5-chloro-2-methyl-6-(1-methylpyrazol-3-yl)-1,2-dihydropyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 135169934
• Molecular Formula: C24H20ClF3N8O
• Molecular Weight: 528.93 g/mol
• Exact Mass: 528.14
• IUPAC Name: 1-(1-aminoisoquinolin-4-yl)-N-[5-chloro-2-methyl-6-(1-methylpyrazol-3-yl)-1,2-dihydropyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: CC1NC(c2ccn(C)n2)=C(Cl)C=C1NC(=O)c1cnn(-c2cnc(N)c3ccccc23)c1C(F)(F)F
• InChI: InChI=1S/C24H20ClF3N8O/c1-12-18(9-16(25)20(32-12)17-7-8-35(2)34-17)33-23(37)15-10-31-36(21(15)24(26,27)28)19-11-30-22(29)14-6-4-3-5-13(14)19/h3-12,32H,1-2H3,(H2,29,30)(H,33,37)
• InChIKey: MOKBYVVXSGOLNW-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 115.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.93
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoisoquinolin-4-yl)-N-[5-chloro-2-methyl-6-(1-methylpyrazol-3-yl)-1,2-dihydropyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The IUPAC name of 1-(1-aminoisoquinolin-4-yl)-N-[5-chloro-2-methyl-6-(1-methylpyrazol-3-yl)-1,2-dihydropyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 135169934) is 1-(1-aminoisoquinolin-4-yl)-N-[5-chloro-2-methyl-6-(1-methylpyrazol-3-yl)-1,2-dihydropyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

What is the SMILES notation for 1-(1-aminoisoquinolin-4-yl)-N-[5-chloro-2-methyl-6-(1-methylpyrazol-3-yl)-1,2-dihydropyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The canonical SMILES for 1-(1-aminoisoquinolin-4-yl)-N-[5-chloro-2-methyl-6-(1-methylpyrazol-3-yl)-1,2-dihydropyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is CC1NC(c2ccn(C)n2)=C(Cl)C=C1NC(=O)c1cnn(-c2cnc(N)c3ccccc23)c1C(F)(F)F.

What is the InChIKey of 1-(1-aminoisoquinolin-4-yl)-N-[5-chloro-2-methyl-6-(1-methylpyrazol-3-yl)-1,2-dihydropyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The InChIKey is MOKBYVVXSGOLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N8O/c1-12-18(9-16(25)20(32-12)17-7-8-35(2)34-17)33-23(37)15-10-31-36(21(15)24(26,27)28)19-11-30-22(29)14-6-4-3-5-13(14)19/h3-12,32H,1-2H3,(H2,29,30)(H,33,37).

What are the key properties of 1-(1-aminoisoquinolin-4-yl)-N-[5-chloro-2-methyl-6-(1-methylpyrazol-3-yl)-1,2-dihydropyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

1-(1-aminoisoquinolin-4-yl)-N-[5-chloro-2-methyl-6-(1-methylpyrazol-3-yl)-1,2-dihydropyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 528.93 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-aminoisoquinolin-4-yl)-N-[5-chloro-2-methyl-6-(1-methylpyrazol-3-yl)-1,2-dihydropyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 135169934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).