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

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Related Compounds

7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 122438535
US10280165, Example 17
CID 134489486
US10280165, Example 20
CID 134489491
US10280165, Example 29
CID 134489494
N-{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 71807737
US10280165, Example 18
CID 134489490
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)acetamide
CID 4774023
7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-methyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118009515
7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-methyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118009639
7-[[3-cyclopropyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118010338
7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-2-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118011166
7-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118011229

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).