2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide

C18H16F3N5O2 — CID 122630641

IUPAC2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
SMILESCc1cc(C(N)=O)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1
InChIInChI=1S/C18H16F3N5O2/c1-9-4-13(17(22)28)26-15(5-9)23-11(6-16(26)27)8-25-12(10-2-3-10)7-14(24-25)18(19,20)21/h4-7,10H,2-3,8H2,1H3,(H2,22,28)
InChIKeyGQOWOHOWUYXNSK-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.24
Rot. Bonds4

About 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide

2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide (PubChem CID 122630641) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
PubChem CID122630641
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
SMILESCc1cc(C(N)=O)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1
InChIInChI=1S/C18H16F3N5O2/c1-9-4-13(17(22)28)26-15(5-9)23-11(6-16(26)27)8-25-12(10-2-3-10)7-14(24-25)18(19,20)21/h4-7,10H,2-3,8H2,1H3,(H2,22,28)
InChIKeyGQOWOHOWUYXNSK-UHFFFAOYSA-N
XLogP2.24
TPSA95.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide (CID 122630641) is 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide is Cc1cc(C(N)=O)n2c(=O)cc(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1.
What is the InChIKey of 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is GQOWOHOWUYXNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-9-4-13(17(22)28)26-15(5-9)23-11(6-16(26)27)8-25-12(10-2-3-10)7-14(24-25)18(19,20)21/h4-7,10H,2-3,8H2,1H3,(H2,22,28).
What are the key properties of 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 122630641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).