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

C19H18F3N5O2 — CID 134489491

IUPAC2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)cc(=O)n12
InChIInChI=1S/C19H18F3N5O2/c1-2-23-18(29)13-4-3-5-16-24-12(8-17(28)27(13)16)10-26-14(11-6-7-11)9-15(25-26)19(20,21)22/h3-5,8-9,11H,2,6-7,10H2,1H3,(H,23,29)
InChIKeyDOOUMSLVIZLSHU-UHFFFAOYSA-N
MW405.38 g/mol
LogP2.59
Rot. Bonds5

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

2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide (PubChem CID 134489491) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
PubChem CID134489491
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)cc(=O)n12
InChIInChI=1S/C19H18F3N5O2/c1-2-23-18(29)13-4-3-5-16-24-12(8-17(28)27(13)16)10-26-14(11-6-7-11)9-15(25-26)19(20,21)22/h3-5,8-9,11H,2,6-7,10H2,1H3,(H,23,29)
InChIKeyDOOUMSLVIZLSHU-UHFFFAOYSA-N
XLogP2.59
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.59
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-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide (CID 134489491) is 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-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-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide is CCNC(=O)c1cccc2nc(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-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is DOOUMSLVIZLSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c1-2-23-18(29)13-4-3-5-16-24-12(8-17(28)27(13)16)10-26-14(11-6-7-11)9-15(25-26)19(20,21)22/h3-5,8-9,11H,2,6-7,10H2,1H3,(H,23,29).
What are the key properties of 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 2.59, 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-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 134489491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).