[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone

C25H24F3N5O — CID 170126381

IUPAC[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCCC1Cc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C(C)N1C(=O)c1c(C)nc2ccccn12
InChIInChI=1S/C25H24F3N5O/c1-5-16-12-17-22(30-31(4)24(17)15-10-18(26)21(28)19(27)11-15)14(3)33(16)25(34)23-13(2)29-20-8-6-7-9-32(20)23/h6-11,14,16H,5,12H2,1-4H3
InChIKeyWKERLNYRNNWTCX-UHFFFAOYSA-N
MW467.50 g/mol
LogP5.00
Rot. Bonds3

About [5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone

[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 170126381) has the molecular formula C25H24F3N5O and a molecular weight of 467.50 g/mol. Its IUPAC name is [5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID170126381
Molecular FormulaC25H24F3N5O
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Name[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCCC1Cc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C(C)N1C(=O)c1c(C)nc2ccccn12
InChIInChI=1S/C25H24F3N5O/c1-5-16-12-17-22(30-31(4)24(17)15-10-18(26)21(28)19(27)11-15)14(3)33(16)25(34)23-13(2)29-20-8-6-7-9-32(20)23/h6-11,14,16H,5,12H2,1-4H3
InChIKeyWKERLNYRNNWTCX-UHFFFAOYSA-N
XLogP5.00
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146480859
(2-methylimidazo[1,2-a]pyridin-3-yl)-[(1S,8R)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone
CID 146455284
[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146480301
[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methylquinolin-8-yl)methanone
CID 170126505
(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(1S,8R)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone
CID 146455279
[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 146457447
(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone
CID 146491701
[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]methanone
CID 146491566
[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanone
CID 170125747
[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-methyl-3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 170125742
[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methylquinazolin-4-yl)methanone
CID 146491825
(2,7-dimethylimidazo[1,2-b]pyridazin-3-yl)-[(1S,8R)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]methanone
CID 146454964

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of [5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone (CID 170126381) is [5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for [5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for [5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone is CCC1Cc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C(C)N1C(=O)c1c(C)nc2ccccn12.
What is the InChIKey of [5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is WKERLNYRNNWTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O/c1-5-16-12-17-22(30-31(4)24(17)15-10-18(26)21(28)19(27)11-15)14(3)33(16)25(34)23-13(2)29-20-8-6-7-9-32(20)23/h6-11,14,16H,5,12H2,1-4H3.
What are the key properties of [5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 467.50 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 170126381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).