N-[5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-2-(2-hydroxyethylamino)pyridine-3-carboxamide

C22H20ClF3N6O3 — CID 145008373

About N-[5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-2-(2-hydroxyethylamino)pyridine-3-carboxamide

N-[5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-2-(2-hydroxyethylamino)pyridine-3-carboxamide (PubChem CID 145008373) has the molecular formula C22H20ClF3N6O3 and a molecular weight of 508.89 g/mol. Its IUPAC name is N-[5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-2-(2-hydroxyethylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-2-(2-hydroxyethylamino)pyridine-3-carboxamide
• PubChem CID: 145008373
• Molecular Formula: C22H20ClF3N6O3
• Molecular Weight: 508.89 g/mol
• Exact Mass: 508.12
• IUPAC Name: N-[5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-2-(2-hydroxyethylamino)pyridine-3-carboxamide
• SMILES: CC1CN(c2ccc(C(F)(F)F)c(Cl)c2)C(=O)c2c(NC(=O)c3cccnc3NCCO)cnn21
• InChI: InChI=1S/C22H20ClF3N6O3/c1-12-11-31(13-4-5-15(16(23)9-13)22(24,25)26)21(35)18-17(10-29-32(12)18)30-20(34)14-3-2-6-27-19(14)28-7-8-33/h2-6,9-10,12,33H,7-8,11H2,1H3,(H,27,28)(H,30,34)
• InChIKey: QLQJFRMZMODRCJ-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 112.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.89
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-2-(2-hydroxyethylamino)pyridine-3-carboxamide?

The IUPAC name of N-[5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-2-(2-hydroxyethylamino)pyridine-3-carboxamide (CID 145008373) is N-[5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-2-(2-hydroxyethylamino)pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-2-(2-hydroxyethylamino)pyridine-3-carboxamide?

The canonical SMILES for N-[5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-2-(2-hydroxyethylamino)pyridine-3-carboxamide is CC1CN(c2ccc(C(F)(F)F)c(Cl)c2)C(=O)c2c(NC(=O)c3cccnc3NCCO)cnn21.

What is the InChIKey of N-[5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-2-(2-hydroxyethylamino)pyridine-3-carboxamide?

The InChIKey is QLQJFRMZMODRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N6O3/c1-12-11-31(13-4-5-15(16(23)9-13)22(24,25)26)21(35)18-17(10-29-32(12)18)30-20(34)14-3-2-6-27-19(14)28-7-8-33/h2-6,9-10,12,33H,7-8,11H2,1H3,(H,27,28)(H,30,34).

What are the key properties of N-[5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-2-(2-hydroxyethylamino)pyridine-3-carboxamide?

N-[5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-2-(2-hydroxyethylamino)pyridine-3-carboxamide has a molecular weight of 508.89 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-2-(2-hydroxyethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 145008373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).