7-(4-methoxyphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide

C24H18F3N3O3 — CID 90670949

IUPAC7-(4-methoxyphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2ccc3ncc(C(=O)NCc4ccc(C(F)(F)F)cc4)c(=O)n3c2)cc1
InChIInChI=1S/C24H18F3N3O3/c1-33-19-9-4-16(5-10-19)17-6-11-21-28-13-20(23(32)30(21)14-17)22(31)29-12-15-2-7-18(8-3-15)24(25,26)27/h2-11,13-14H,12H2,1H3,(H,29,31)
InChIKeyAEIWCZHKUIXIBK-UHFFFAOYSA-N
MW453.42 g/mol
LogP4.32
Rot. Bonds5

About 7-(4-methoxyphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide

7-(4-methoxyphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 90670949) has the molecular formula C24H18F3N3O3 and a molecular weight of 453.42 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID90670949
Molecular FormulaC24H18F3N3O3
Molecular Weight453.42 g/mol
Exact Mass453.13
IUPAC Name7-(4-methoxyphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2ccc3ncc(C(=O)NCc4ccc(C(F)(F)F)cc4)c(=O)n3c2)cc1
InChIInChI=1S/C24H18F3N3O3/c1-33-19-9-4-16(5-10-19)17-6-11-21-28-13-20(23(32)30(21)14-17)22(31)29-12-15-2-7-18(8-3-15)24(25,26)27/h2-11,13-14H,12H2,1H3,(H,29,31)
InChIKeyAEIWCZHKUIXIBK-UHFFFAOYSA-N
XLogP4.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(4-methoxyphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 90670949) is 7-(4-methoxyphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(4-methoxyphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(4-methoxyphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide is COc1ccc(-c2ccc3ncc(C(=O)NCc4ccc(C(F)(F)F)cc4)c(=O)n3c2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is AEIWCZHKUIXIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3/c1-33-19-9-4-16(5-10-19)17-6-11-21-28-13-20(23(32)30(21)14-17)22(31)29-12-15-2-7-18(8-3-15)24(25,26)27/h2-11,13-14H,12H2,1H3,(H,29,31).
What are the key properties of 7-(4-methoxyphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
7-(4-methoxyphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 453.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90670949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).