N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C25H18F3N5O3 — CID 118215154

IUPACN-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCN1C(=O)COc2cc(NC(=O)c3cc(-c4ccncc4)n(-c4ccc(C(F)(F)F)cc4)n3)ccc21
InChIInChI=1S/C25H18F3N5O3/c1-32-20-7-4-17(12-22(20)36-14-23(32)34)30-24(35)19-13-21(15-8-10-29-11-9-15)33(31-19)18-5-2-16(3-6-18)25(26,27)28/h2-13H,14H2,1H3,(H,30,35)
InChIKeyNJZRSYBHXSIEDV-UHFFFAOYSA-N
MW493.45 g/mol
LogP4.56
Rot. Bonds4

About N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 118215154) has the molecular formula C25H18F3N5O3 and a molecular weight of 493.45 g/mol. Its IUPAC name is N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID118215154
Molecular FormulaC25H18F3N5O3
Molecular Weight493.45 g/mol
Exact Mass493.14
IUPAC NameN-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCN1C(=O)COc2cc(NC(=O)c3cc(-c4ccncc4)n(-c4ccc(C(F)(F)F)cc4)n3)ccc21
InChIInChI=1S/C25H18F3N5O3/c1-32-20-7-4-17(12-22(20)36-14-23(32)34)30-24(35)19-13-21(15-8-10-29-11-9-15)33(31-19)18-5-2-16(3-6-18)25(26,27)28/h2-13H,14H2,1H3,(H,30,35)
InChIKeyNJZRSYBHXSIEDV-UHFFFAOYSA-N
XLogP4.56
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-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

Related Compounds

N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 44449334
US9951086, Example 68
CID 118173098
US9951086, Example 220
CID 118172527
US9951086, Example 46
CID 118172648
US9951086, Example 69
CID 118172658
US9951086, Example 221
CID 118172833
US9951086, Example 12
CID 118172938
US9951086, Example 65
CID 118173075
US9951086, Example 64
CID 118173110
US9951086, Example 255
CID 118173137
US9951086, Example 71
CID 122637001
US9951086, Example 257
CID 122637024

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 118215154) is N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is CN1C(=O)COc2cc(NC(=O)c3cc(-c4ccncc4)n(-c4ccc(C(F)(F)F)cc4)n3)ccc21.
What is the InChIKey of N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is NJZRSYBHXSIEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O3/c1-32-20-7-4-17(12-22(20)36-14-23(32)34)30-24(35)19-13-21(15-8-10-29-11-9-15)33(31-19)18-5-2-16(3-6-18)25(26,27)28/h2-13H,14H2,1H3,(H,30,35).
What are the key properties of N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 493.45 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 118215154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).