2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide

C20H20F3N5O2 — CID 134489486

IUPAC2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1c(C)ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)cc(=O)n12
InChIInChI=1S/C20H20F3N5O2/c1-3-24-19(30)18-11(2)4-7-16-25-13(8-17(29)28(16)18)10-27-14(12-5-6-12)9-15(26-27)20(21,22)23/h4,7-9,12H,3,5-6,10H2,1-2H3,(H,24,30)
InChIKeyKJEBDDULKDJINE-UHFFFAOYSA-N
MW419.41 g/mol
LogP2.89
Rot. Bonds5

About 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide

2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide (PubChem CID 134489486) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
PubChem CID134489486
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1c(C)ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)cc(=O)n12
InChIInChI=1S/C20H20F3N5O2/c1-3-24-19(30)18-11(2)4-7-16-25-13(8-17(29)28(16)18)10-27-14(12-5-6-12)9-15(26-27)20(21,22)23/h4,7-9,12H,3,5-6,10H2,1-2H3,(H,24,30)
InChIKeyKJEBDDULKDJINE-UHFFFAOYSA-N
XLogP2.89
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide (CID 134489486) is 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide is CCNC(=O)c1c(C)ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)cc(=O)n12.
What is the InChIKey of 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is KJEBDDULKDJINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-3-24-19(30)18-11(2)4-7-16-25-13(8-17(29)28(16)18)10-27-14(12-5-6-12)9-15(26-27)20(21,22)23/h4,7-9,12H,3,5-6,10H2,1-2H3,(H,24,30).
What are the key properties of 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 2.89, 5 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]-N-ethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 134489486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).