2-(2,5-dimethylpyrazol-3-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide

C25H22F3N7O2 — CID 145209044

IUPAC2-(2,5-dimethylpyrazol-3-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3c(C(F)(F)F)nn(Cc4cc(C)on4)c3C)c3ccccc3n2)n(C)n1
InChIInChI=1S/C25H22F3N7O2/c1-13-9-21(34(4)31-13)20-11-18(17-7-5-6-8-19(17)29-20)24(36)30-22-15(3)35(32-23(22)25(26,27)28)12-16-10-14(2)37-33-16/h5-11H,12H2,1-4H3,(H,30,36)
InChIKeyXMUFBKAASBKJDE-UHFFFAOYSA-N
MW509.49 g/mol
LogP5.06
Rot. Bonds5

About 2-(2,5-dimethylpyrazol-3-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide

2-(2,5-dimethylpyrazol-3-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 145209044) has the molecular formula C25H22F3N7O2 and a molecular weight of 509.49 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide
PubChem CID145209044
Molecular FormulaC25H22F3N7O2
Molecular Weight509.49 g/mol
Exact Mass509.18
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3c(C(F)(F)F)nn(Cc4cc(C)on4)c3C)c3ccccc3n2)n(C)n1
InChIInChI=1S/C25H22F3N7O2/c1-13-9-21(34(4)31-13)20-11-18(17-7-5-6-8-19(17)29-20)24(36)30-22-15(3)35(32-23(22)25(26,27)28)12-16-10-14(2)37-33-16/h5-11H,12H2,1-4H3,(H,30,36)
InChIKeyXMUFBKAASBKJDE-UHFFFAOYSA-N
XLogP5.06
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.49
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(2,5-dimethylpyrazol-3-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-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

Related Compounds

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide
CID 155522505
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-6-carboxamide
CID 57422310
(4,4-Difluorocyclohexyl)-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone
CID 90449009
3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[1-methyl-6-(trifluoromethyl)indazol-3-yl]-1H-pyrrole-2-carboxamide
CID 164617341
CID 140770516
CID 140770516
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-5-carboxamide
CID 57422305
5-prop-1-en-2-yl-N-[1-[[4-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220534
5-propan-2-yl-N-[1-[[4-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220599
5-phenyl-N-[1-[[4-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220677
5-pyridin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 147115441
5-(2-fluorophenyl)-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 148670172
N~4~-(3,5-Dimethyl-4-isoxazolyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-YL)-4-quinolinecarboxamide
CID 19584399

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide (CID 145209044) is 2-(2,5-dimethylpyrazol-3-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide is Cc1cc(-c2cc(C(=O)Nc3c(C(F)(F)F)nn(Cc4cc(C)on4)c3C)c3ccccc3n2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is XMUFBKAASBKJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N7O2/c1-13-9-21(34(4)31-13)20-11-18(17-7-5-6-8-19(17)29-20)24(36)30-22-15(3)35(32-23(22)25(26,27)28)12-16-10-14(2)37-33-16/h5-11H,12H2,1-4H3,(H,30,36).
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide?
2-(2,5-dimethylpyrazol-3-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 509.49 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 145209044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).