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

C26H17F3N8O3 — CID 134609780

IUPACmethyl 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ncc(NC(=O)c3cnn(-c4cccc5ncccc45)c3C(F)(F)F)cc2C#N)nn1C
InChIInChI=1S/C26H17F3N8O3/c1-36-21(25(39)40-2)10-19(35-36)22-14(11-30)9-15(12-32-22)34-24(38)17-13-33-37(23(17)26(27,28)29)20-7-3-6-18-16(20)5-4-8-31-18/h3-10,12-13H,1-2H3,(H,34,38)
InChIKeyQMSAZTKAGJDYPK-UHFFFAOYSA-N
MW546.47 g/mol
LogP4.15
Rot. Bonds5

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

methyl 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate (PubChem CID 134609780) has the molecular formula C26H17F3N8O3 and a molecular weight of 546.47 g/mol. Its IUPAC name is methyl 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate
PubChem CID134609780
Molecular FormulaC26H17F3N8O3
Molecular Weight546.47 g/mol
Exact Mass546.14
IUPAC Namemethyl 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ncc(NC(=O)c3cnn(-c4cccc5ncccc45)c3C(F)(F)F)cc2C#N)nn1C
InChIInChI=1S/C26H17F3N8O3/c1-36-21(25(39)40-2)10-19(35-36)22-14(11-30)9-15(12-32-22)34-24(38)17-13-33-37(23(17)26(27,28)29)20-7-3-6-18-16(20)5-4-8-31-18/h3-10,12-13H,1-2H3,(H,34,38)
InChIKeyQMSAZTKAGJDYPK-UHFFFAOYSA-N
XLogP4.15
TPSA140.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate 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

6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]cinnoline-3-carboxamide
CID 145964774
4-[[(1S)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(methoxymethyl)-3-pyridinyl]cinnoline-3-carboxamide
CID 145971640
3-(3-cyano-5-(1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)pyridin-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 134609744
methyl 6-chloro-4-(1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)picolinate
CID 134609752
N-(5-chloro-6-(1,3,4-oxadiazol-2-yl)pyridin-3-yl)-1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609955
methyl 2-cyano-4-(1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)benzoate
CID 134610061
methyl 3-chloro-5-(1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)picolinate
CID 134610342
methyl 4-(1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)picolinate
CID 134609781
(2S)-2-amino-N-[[3-[5-(5-quinolin-3-yl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propanamide
CID 58832544
(2,2,2-Trifluoroacetyl) 1-(2-aminoethyl)-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylate
CID 87717127
N-[1-[(5-cyanopyridin-2-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide
CID 118171259
6-[[4-[(2-Carbamoyl-6-fluoroquinoline-4-carbonyl)amino]-3,5-dimethylpyrazol-1-yl]methyl]pyridine-3-carboxylic acid
CID 118171362

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate (CID 134609780) is methyl 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate is COC(=O)c1cc(-c2ncc(NC(=O)c3cnn(-c4cccc5ncccc45)c3C(F)(F)F)cc2C#N)nn1C.
What is the InChIKey of methyl 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate?
The InChIKey is QMSAZTKAGJDYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N8O3/c1-36-21(25(39)40-2)10-19(35-36)22-14(11-30)9-15(12-32-22)34-24(38)17-13-33-37(23(17)26(27,28)29)20-7-3-6-18-16(20)5-4-8-31-18/h3-10,12-13H,1-2H3,(H,34,38).
What are the key properties of methyl 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate?
methyl 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate has a molecular weight of 546.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-cyano-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2-pyridinyl]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 134609780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).