3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylic acid

C25H15F3N8O3 — CID 134609744

IUPAC3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(-c2ncc(NC(=O)c3cnn(-c4cccc5ncccc45)c3C(F)(F)F)cc2C#N)cc1C(=O)O
InChIInChI=1S/C25H15F3N8O3/c1-35-20(24(38)39)9-18(34-35)21-13(10-29)8-14(11-31-21)33-23(37)16-12-32-36(22(16)25(26,27)28)19-6-2-5-17-15(19)4-3-7-30-17/h2-9,11-12H,1H3,(H,33,37)(H,38,39)
InChIKeyDVKZCQUYIIHWOM-UHFFFAOYSA-N
MW532.44 g/mol
LogP4.06
Rot. Bonds5

About 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylic acid

3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylic acid (PubChem CID 134609744) has the molecular formula C25H15F3N8O3 and a molecular weight of 532.44 g/mol. Its IUPAC name is 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylic acid
PubChem CID134609744
Molecular FormulaC25H15F3N8O3
Molecular Weight532.44 g/mol
Exact Mass532.12
IUPAC Name3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(-c2ncc(NC(=O)c3cnn(-c4cccc5ncccc45)c3C(F)(F)F)cc2C#N)cc1C(=O)O
InChIInChI=1S/C25H15F3N8O3/c1-35-20(24(38)39)9-18(34-35)21-13(10-29)8-14(11-31-21)33-23(37)16-12-32-36(22(16)25(26,27)28)19-6-2-5-17-15(19)4-3-7-30-17/h2-9,11-12H,1H3,(H,33,37)(H,38,39)
InChIKeyDVKZCQUYIIHWOM-UHFFFAOYSA-N
XLogP4.06
TPSA151.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylic acid with MolForge

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Related Compounds

1-(2-Aminoethyl)-3-[2-(Quinolin-3-Yl)pyridin-4-Yl]-1h-Pyrazole-5-Carboxylic Acid
CID 9826115
methyl 3-(3-cyano-5-(1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)pyridin-2-yl)-1-methyl-1H-pyrazole-5-carboxylate
CID 134609780
2-cyano-4-(1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)benzoic acid
CID 134609921
methyl 3-chloro-5-(1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)picolinate
CID 134610342
2-(2-Aminoethyl)-5-(2-quinolin-3-ylpyridin-4-yl)pyrazole-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 9826114
4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid
CID 45136967
4-[1-[[1-(4-Fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid
CID 75095703
6-[[4-[(2-Carbamoyl-6-fluoroquinoline-4-carbonyl)amino]-3,5-dimethylpyrazol-1-yl]methyl]pyridine-3-carboxylic acid
CID 118171362
4-[[[1-[(3-Cyano-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-hydroxymethyl]-6,7-difluoroquinoline-2-carboxamide
CID 123206274
4-[[[1-[(2-Cyano-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-hydroxymethyl]-6,7-difluoroquinoline-2-carboxamide
CID 123366767
3-Chloro-5-[[1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-4-methylpyridine-2-carboxylic acid
CID 135156247
Methyl 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate;molecular hydrogen
CID 142388002

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylic acid (CID 134609744) is 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylic acid is Cn1nc(-c2ncc(NC(=O)c3cnn(-c4cccc5ncccc45)c3C(F)(F)F)cc2C#N)cc1C(=O)O.
What is the InChIKey of 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is DVKZCQUYIIHWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F3N8O3/c1-35-20(24(38)39)9-18(34-35)21-13(10-29)8-14(11-31-21)33-23(37)16-12-32-36(22(16)25(26,27)28)19-6-2-5-17-15(19)4-3-7-30-17/h2-9,11-12H,1H3,(H,33,37)(H,38,39).
What are the key properties of 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylic acid?
3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 532.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 134609744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).