(2,6-dimethylquinolin-4-yl)-[2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone

C24H23F3N6O — CID 166766823

IUPAC(2,6-dimethylquinolin-4-yl)-[2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
SMILESCc1ccc2nc(C)cc(C(=O)N3CCc4c(nn(C)c4-c4cc(C(F)(F)F)nn4C)C3)c2c1
InChIInChI=1S/C24H23F3N6O/c1-13-5-6-18-16(9-13)17(10-14(2)28-18)23(34)33-8-7-15-19(12-33)29-32(4)22(15)20-11-21(24(25,26)27)30-31(20)3/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyMADRGCNUJXSTMK-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.20
Rot. Bonds2

About (2,6-dimethylquinolin-4-yl)-[2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone

(2,6-dimethylquinolin-4-yl)-[2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (PubChem CID 166766823) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is (2,6-dimethylquinolin-4-yl)-[2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylquinolin-4-yl)-[2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
PubChem CID166766823
Molecular FormulaC24H23F3N6O
Molecular Weight468.48 g/mol
Exact Mass468.19
IUPAC Name(2,6-dimethylquinolin-4-yl)-[2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
SMILESCc1ccc2nc(C)cc(C(=O)N3CCc4c(nn(C)c4-c4cc(C(F)(F)F)nn4C)C3)c2c1
InChIInChI=1S/C24H23F3N6O/c1-13-5-6-18-16(9-13)17(10-14(2)28-18)23(34)33-8-7-15-19(12-33)29-32(4)22(15)20-11-21(24(25,26)27)30-31(20)3/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyMADRGCNUJXSTMK-UHFFFAOYSA-N
XLogP4.20
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,6-dimethylquinolin-4-yl)-[2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone 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

(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2,6-dimethylquinolin-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 154887221
[3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(trifluoromethyl)quinolin-6-yl]methanone
CID 146515480
(2,6-dimethylquinolin-4-yl)-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone
CID 70754256
[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1,6-dimethylpyrazolo[4,5-b]pyridin-5-yl)methanone
CID 156863505
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone
CID 133124655
[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
CID 146515843
2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 35614892
[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(3-methoxy-2-methylphenyl)methanone
CID 156863558
[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(3-methoxyphenyl)methanone
CID 166034919
[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515717
[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 108811107
(1-methylindazol-7-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515494

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylquinolin-4-yl)-[2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
The IUPAC name of (2,6-dimethylquinolin-4-yl)-[2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (CID 166766823) is (2,6-dimethylquinolin-4-yl)-[2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for (2,6-dimethylquinolin-4-yl)-[2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
The canonical SMILES for (2,6-dimethylquinolin-4-yl)-[2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is Cc1ccc2nc(C)cc(C(=O)N3CCc4c(nn(C)c4-c4cc(C(F)(F)F)nn4C)C3)c2c1.
What is the InChIKey of (2,6-dimethylquinolin-4-yl)-[2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
The InChIKey is MADRGCNUJXSTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O/c1-13-5-6-18-16(9-13)17(10-14(2)28-18)23(34)33-8-7-15-19(12-33)29-32(4)22(15)20-11-21(24(25,26)27)30-31(20)3/h5-6,9-11H,7-8,12H2,1-4H3.
What are the key properties of (2,6-dimethylquinolin-4-yl)-[2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
(2,6-dimethylquinolin-4-yl)-[2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone has a molecular weight of 468.48 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylquinolin-4-yl)-[2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 166766823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).