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

C25H22F3N7O2 — CID 145209060

IUPAC2-(1,5-dimethylpyrazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1cc(Cn2nc(C(F)(F)F)c(NC(=O)c3cc(-c4cnn(C)c4C)nc4ccccc34)c2C)no1
InChIInChI=1S/C25H22F3N7O2/c1-13-9-16(33-37-13)12-35-15(3)22(23(32-35)25(26,27)28)31-24(36)18-10-21(19-11-29-34(4)14(19)2)30-20-8-6-5-7-17(18)20/h5-11H,12H2,1-4H3,(H,31,36)
InChIKeyQLQMJWFRDJJOQV-UHFFFAOYSA-N
MW509.49 g/mol
LogP5.06
Rot. Bonds5

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

2-(1,5-dimethylpyrazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 145209060) has the molecular formula C25H22F3N7O2 and a molecular weight of 509.49 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-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-(1,5-dimethylpyrazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide
PubChem CID145209060
Molecular FormulaC25H22F3N7O2
Molecular Weight509.49 g/mol
Exact Mass509.18
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1cc(Cn2nc(C(F)(F)F)c(NC(=O)c3cc(-c4cnn(C)c4C)nc4ccccc34)c2C)no1
InChIInChI=1S/C25H22F3N7O2/c1-13-9-16(33-37-13)12-35-15(3)22(23(32-35)25(26,27)28)31-24(36)18-10-21(19-11-29-34(4)14(19)2)30-20-8-6-5-7-17(18)20/h5-11H,12H2,1-4H3,(H,31,36)
InChIKeyQLQMJWFRDJJOQV-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-(1,5-dimethylpyrazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide with MolForge

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Related Compounds

N-Ethyl-N-{2-[3-(5-fluoropyridin-2-yl)-1,2-oxazol-5-yl]ethyl}-5-methyl-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 71007219
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamide
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3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide
CID 164616518
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
4-[3-[1-(Difluoromethyl)pyrazol-4-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628254
3,5-Dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridin-6-yl]isoxazole
CID 117628260
4-[3-[1-(Difluoromethyl)pyrazol-4-yl]-1-[(2-fluorophenyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628275
3,5-Dimethyl-4-[1-(1-phenyl-ethyl)-3-[1-(2,2,2-trifluoro-ethyl)pyrazol-4-yl]pyrrolo [3,2-b]pyridin-6-yl] isoxazole
CID 117628326
4-[1-Benzyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 118059806
5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220493
N-[1-[[4-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 146220624

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-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-(1,5-dimethylpyrazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide (CID 145209060) is 2-(1,5-dimethylpyrazol-4-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-(1,5-dimethylpyrazol-4-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-(1,5-dimethylpyrazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide is Cc1cc(Cn2nc(C(F)(F)F)c(NC(=O)c3cc(-c4cnn(C)c4C)nc4ccccc34)c2C)no1.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is QLQMJWFRDJJOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N7O2/c1-13-9-16(33-37-13)12-35-15(3)22(23(32-35)25(26,27)28)31-24(36)18-10-21(19-11-29-34(4)14(19)2)30-20-8-6-5-7-17(18)20/h5-11H,12H2,1-4H3,(H,31,36).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide?
2-(1,5-dimethylpyrazol-4-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-(1,5-dimethylpyrazol-4-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 145209060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).