N-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide

C31H27ClF3N7O4 — CID 155690865

IUPACN-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
SMILESCC(C)n1cc(-c2ccc(Cl)c(CC(NC(=O)c3conc3C(F)(F)F)C(=O)Nc3ccc(-c4nncn4C)cc3)c2)ccc1=O
InChIInChI=1S/C31H27ClF3N7O4/c1-17(2)42-14-20(7-11-26(42)43)19-6-10-24(32)21(12-19)13-25(38-29(44)23-15-46-40-27(23)31(33,34)35)30(45)37-22-8-4-18(5-9-22)28-39-36-16-41(28)3/h4-12,14-17,25H,13H2,1-3H3,(H,37,45)(H,38,44)
InChIKeyHGGVTCHEMUSVFD-UHFFFAOYSA-N
MW654.05 g/mol
LogP5.53
Rot. Bonds9

About N-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide

N-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide (PubChem CID 155690865) has the molecular formula C31H27ClF3N7O4 and a molecular weight of 654.05 g/mol. Its IUPAC name is N-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
PubChem CID155690865
Molecular FormulaC31H27ClF3N7O4
Molecular Weight654.05 g/mol
Exact Mass653.18
IUPAC NameN-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
SMILESCC(C)n1cc(-c2ccc(Cl)c(CC(NC(=O)c3conc3C(F)(F)F)C(=O)Nc3ccc(-c4nncn4C)cc3)c2)ccc1=O
InChIInChI=1S/C31H27ClF3N7O4/c1-17(2)42-14-20(7-11-26(42)43)19-6-10-24(32)21(12-19)13-25(38-29(44)23-15-46-40-27(23)31(33,34)35)30(45)37-22-8-4-18(5-9-22)28-39-36-16-41(28)3/h4-12,14-17,25H,13H2,1-3H3,(H,37,45)(H,38,44)
InChIKeyHGGVTCHEMUSVFD-UHFFFAOYSA-N
XLogP5.53
TPSA136.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.05
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-(trifluoromethyl)-1,2-oxazole-4-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 N-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide (CID 155690865) is N-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide is CC(C)n1cc(-c2ccc(Cl)c(CC(NC(=O)c3conc3C(F)(F)F)C(=O)Nc3ccc(-c4nncn4C)cc3)c2)ccc1=O.
What is the InChIKey of N-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is HGGVTCHEMUSVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClF3N7O4/c1-17(2)42-14-20(7-11-26(42)43)19-6-10-24(32)21(12-19)13-25(38-29(44)23-15-46-40-27(23)31(33,34)35)30(45)37-22-8-4-18(5-9-22)28-39-36-16-41(28)3/h4-12,14-17,25H,13H2,1-3H3,(H,37,45)(H,38,44).
What are the key properties of N-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide?
N-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 654.05 g/mol, XLogP of 5.53, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-chloro-5-(6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 155690865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).