7-methyl-4-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide

C25H18F3N5O2 — CID 154859796

IUPAC7-methyl-4-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NC(c3ccccc3)c3ccc4nc(C(F)(F)F)[nH]c4c3)c(=O)n2c1
InChIInChI=1S/C25H18F3N5O2/c1-14-7-10-20-29-12-17(23(35)33(20)13-14)22(34)32-21(15-5-3-2-4-6-15)16-8-9-18-19(11-16)31-24(30-18)25(26,27)28/h2-13,21H,1H3,(H,30,31)(H,32,34)
InChIKeyBHEVVNKPFBFGPK-UHFFFAOYSA-N
MW477.45 g/mol
LogP4.42
Rot. Bonds4

About 7-methyl-4-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide

7-methyl-4-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 154859796) has the molecular formula C25H18F3N5O2 and a molecular weight of 477.45 g/mol. Its IUPAC name is 7-methyl-4-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-4-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID154859796
Molecular FormulaC25H18F3N5O2
Molecular Weight477.45 g/mol
Exact Mass477.14
IUPAC Name7-methyl-4-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NC(c3ccccc3)c3ccc4nc(C(F)(F)F)[nH]c4c3)c(=O)n2c1
InChIInChI=1S/C25H18F3N5O2/c1-14-7-10-20-29-12-17(23(35)33(20)13-14)22(34)32-21(15-5-3-2-4-6-15)16-8-9-18-19(11-16)31-24(30-18)25(26,27)28/h2-13,21H,1H3,(H,30,31)(H,32,34)
InChIKeyBHEVVNKPFBFGPK-UHFFFAOYSA-N
XLogP4.42
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-methyl-4-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrido[1,2-a]pyrimidine-3-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 7-methyl-4-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-methyl-4-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 154859796) is 7-methyl-4-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-methyl-4-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-methyl-4-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2ncc(C(=O)NC(c3ccccc3)c3ccc4nc(C(F)(F)F)[nH]c4c3)c(=O)n2c1.
What is the InChIKey of 7-methyl-4-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BHEVVNKPFBFGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O2/c1-14-7-10-20-29-12-17(23(35)33(20)13-14)22(34)32-21(15-5-3-2-4-6-15)16-8-9-18-19(11-16)31-24(30-18)25(26,27)28/h2-13,21H,1H3,(H,30,31)(H,32,34).
What are the key properties of 7-methyl-4-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
7-methyl-4-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 477.45 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154859796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).