4-amino-7-fluoro-N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

C21H17F4N5O — CID 163382757

IUPAC4-amino-7-fluoro-N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12
InChIInChI=1S/C21H17F4N5O/c1-29(10-11-3-5-12(6-4-11)21(23,24)25)20(31)13-7-14-17(8-16(13)22)28-19(26)15-9-27-30(2)18(14)15/h3-9H,10H2,1-2H3,(H2,26,28)
InChIKeyXGQHLSBNHXJJPL-UHFFFAOYSA-N
MW431.39 g/mol
LogP4.13
Rot. Bonds3

About 4-amino-7-fluoro-N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-7-fluoro-N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 163382757) has the molecular formula C21H17F4N5O and a molecular weight of 431.39 g/mol. Its IUPAC name is 4-amino-7-fluoro-N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-7-fluoro-N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID163382757
Molecular FormulaC21H17F4N5O
Molecular Weight431.39 g/mol
Exact Mass431.14
IUPAC Name4-amino-7-fluoro-N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12
InChIInChI=1S/C21H17F4N5O/c1-29(10-11-3-5-12(6-4-11)21(23,24)25)20(31)13-7-14-17(8-16(13)22)28-19(26)15-9-27-30(2)18(14)15/h3-9H,10H2,1-2H3,(H2,26,28)
InChIKeyXGQHLSBNHXJJPL-UHFFFAOYSA-N
XLogP4.13
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-7-fluoro-1-methyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 163382992
4-amino-7-fluoro-1-methyl-N-(1,2,2-trifluoroethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 175487814
4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 163383387
4-amino-7-fluoro-N,1-dimethyl-N-[[5-(3-methyl-3-trimethylsilyloxybut-1-ynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 170694853
4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[[4-[2-(1-methylpyrazol-4-yl)ethynyl]phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 172555312
4-amino-N'-(bicyclo[1.1.1]pentane-1-carbonyl)-7-fluoro-N',1-dimethyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823668
4-amino-7-fluoro-N,1-dimethyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164867392
4-amino-7-fluoro-N',1-dimethyl-N'-pent-4-enoyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823533
4-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-N-ethyl-7-fluoro-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 163383207
4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[(1S)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 163383319
N'-acetyl-4-amino-7-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823211
4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide
CID 174220847

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-7-fluoro-N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 163382757) is 4-amino-7-fluoro-N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-7-fluoro-N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-7-fluoro-N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12.
What is the InChIKey of 4-amino-7-fluoro-N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is XGQHLSBNHXJJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N5O/c1-29(10-11-3-5-12(6-4-11)21(23,24)25)20(31)13-7-14-17(8-16(13)22)28-19(26)15-9-27-30(2)18(14)15/h3-9H,10H2,1-2H3,(H2,26,28).
What are the key properties of 4-amino-7-fluoro-N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-7-fluoro-N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 431.39 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-fluoro-N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 163382757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).