4-N-[1-[(3-cyano-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide

C21H13F4N7O3 — CID 140770516

IUPAC4-N-[1-[(3-cyano-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
SMILESCc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1cc(C#N)no1
InChIInChI=1S/C21H13F4N7O3/c1-9-17(18(21(23,24)25)30-32(9)8-12-5-11(7-26)31-35-12)29-20(34)14-6-16(19(27)33)28-15-4-10(22)2-3-13(14)15/h2-6H,8H2,1H3,(H2,27,33)(H,29,34)
InChIKeyHDEUJGCTGRPOIG-UHFFFAOYSA-N
MW487.37 g/mol
LogP3.16
Rot. Bonds5

About 4-N-[1-[(3-cyano-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide

4-N-[1-[(3-cyano-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide (PubChem CID 140770516) has the molecular formula C21H13F4N7O3 and a molecular weight of 487.37 g/mol. Its IUPAC name is 4-N-[1-[(3-cyano-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-[(3-cyano-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
PubChem CID140770516
Molecular FormulaC21H13F4N7O3
Molecular Weight487.37 g/mol
Exact Mass487.10
IUPAC Name4-N-[1-[(3-cyano-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
SMILESCc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1cc(C#N)no1
InChIInChI=1S/C21H13F4N7O3/c1-9-17(18(21(23,24)25)30-32(9)8-12-5-11(7-26)31-35-12)29-20(34)14-6-16(19(27)33)28-15-4-10(22)2-3-13(14)15/h2-6H,8H2,1H3,(H2,27,33)(H,29,34)
InChIKeyHDEUJGCTGRPOIG-UHFFFAOYSA-N
XLogP3.16
TPSA152.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-[1-[(3-cyano-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide with MolForge

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Related Compounds

N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 147377319
N-[1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 147377320
N-[1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 148016603
N-[1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 148016604
N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 148744317
5-(5-cyano-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 153356190
N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 156596097
5-(3-fluoro-2-pyridinyl)-N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 156596101
N~4~-(3,5-Dimethyl-4-isoxazolyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-YL)-4-quinolinecarboxamide
CID 19584399
7-fluoro-2-(1-isopropyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylisoxazol-5-yl)methyl]quinoline-4-carboxamide
CID 46999758
N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 54589158
6-chloro-4-N-[3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
CID 118171074

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[(3-cyano-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide?
The IUPAC name of 4-N-[1-[(3-cyano-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide (CID 140770516) is 4-N-[1-[(3-cyano-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[1-[(3-cyano-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide?
The canonical SMILES for 4-N-[1-[(3-cyano-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide is Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1cc(C#N)no1.
What is the InChIKey of 4-N-[1-[(3-cyano-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide?
The InChIKey is HDEUJGCTGRPOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N7O3/c1-9-17(18(21(23,24)25)30-32(9)8-12-5-11(7-26)31-35-12)29-20(34)14-6-16(19(27)33)28-15-4-10(22)2-3-13(14)15/h2-6H,8H2,1H3,(H2,27,33)(H,29,34).
What are the key properties of 4-N-[1-[(3-cyano-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide?
4-N-[1-[(3-cyano-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide has a molecular weight of 487.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[(3-cyano-1,2-oxazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide is sourced from PubChem (CID 140770516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).