3,5-dimethyl-4-[1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole

C24H21F3N6O — CID 118059530

IUPAC3,5-dimethyl-4-[1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2c(-c3cnn(CC(F)(F)F)c3)cn(C(C)c3ccccn3)c2c1
InChIInChI=1S/C24H21F3N6O/c1-14-22(16(3)34-31-14)17-8-21-23(29-9-17)19(18-10-30-32(11-18)13-24(25,26)27)12-33(21)15(2)20-6-4-5-7-28-20/h4-12,15H,13H2,1-3H3
InChIKeyBRRHRLFGFDPOCB-UHFFFAOYSA-N
MW466.47 g/mol
LogP5.74
Rot. Bonds5

About 3,5-dimethyl-4-[1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole

3,5-dimethyl-4-[1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole (PubChem CID 118059530) has the molecular formula C24H21F3N6O and a molecular weight of 466.47 g/mol. Its IUPAC name is 3,5-dimethyl-4-[1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole
PubChem CID118059530
Molecular FormulaC24H21F3N6O
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name3,5-dimethyl-4-[1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2c(-c3cnn(CC(F)(F)F)c3)cn(C(C)c3ccccn3)c2c1
InChIInChI=1S/C24H21F3N6O/c1-14-22(16(3)34-31-14)17-8-21-23(29-9-17)19(18-10-30-32(11-18)13-24(25,26)27)12-33(21)15(2)20-6-4-5-7-28-20/h4-12,15H,13H2,1-3H3
InChIKeyBRRHRLFGFDPOCB-UHFFFAOYSA-N
XLogP5.74
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.47
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,5-dimethyl-4-[1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole with MolForge

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Related Compounds

Plx-51107
CID 90448953
2-[8-fluoro-5-[(S)-(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]-7-[3-methyl-5-(trideuteriomethyl)triazol-4-yl]pyrido[3,2-b]indol-3-yl]propan-2-ol
CID 166631461
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[7-(3,5-dimethylisoxazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280244
5-[1-[(4,4-Difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine
CID 118060057
(3S,4S)-tert-butyl 3-((3-carbamoyl-6-(3-methylisoxazol-5-yl)pyrrolo[1,2-b]pyridazin-4-yl)amino)-4-ethylpyrrolidine-1-carboxylate
CID 68291147
US9725449, Example 224
CID 122686331
US10683290, Example 34
CID 134485955
US11472802, Example 69
CID 139331381
Bet-IN-24
CID 156471779
2-[9-fluoro-5-[(S)-(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]-3-[3-methyl-5-(trideuteriomethyl)triazol-4-yl]pyrido[3,2-b]indol-7-yl]propan-2-ol
CID 164611828
2-[3-(3,5-dimethyltriazol-4-yl)-5-[(S)-(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol
CID 164617536
2-[8-fluoro-5-[(S)-(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]-3-[3-methyl-5-(trideuteriomethyl)triazol-4-yl]pyrido[3,2-b]indol-7-yl]propan-2-ol
CID 164618899

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole (CID 118059530) is 3,5-dimethyl-4-[1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole is Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(F)(F)F)c3)cn(C(C)c3ccccn3)c2c1.
What is the InChIKey of 3,5-dimethyl-4-[1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole?
The InChIKey is BRRHRLFGFDPOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O/c1-14-22(16(3)34-31-14)17-8-21-23(29-9-17)19(18-10-30-32(11-18)13-24(25,26)27)12-33(21)15(2)20-6-4-5-7-28-20/h4-12,15H,13H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole?
3,5-dimethyl-4-[1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole has a molecular weight of 466.47 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[1-(1-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole is sourced from PubChem (CID 118059530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).