1-[3-(5-cyclobutyloxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone

C25H28FN3O4S — CID 163452078

IUPAC1-[3-(5-cyclobutyloxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone
SMILESCC(C)n1nc(-c2cc(OC3CCC3)ccc2F)c2ncc(C(=O)CC3(C)CS(=O)(=O)C3)cc21
InChIInChI=1S/C25H28FN3O4S/c1-15(2)29-21-9-16(22(30)11-25(3)13-34(31,32)14-25)12-27-24(21)23(28-29)19-10-18(7-8-20(19)26)33-17-5-4-6-17/h7-10,12,15,17H,4-6,11,13-14H2,1-3H3
InChIKeyCRMGWLXCPGKBPH-UHFFFAOYSA-N
MW485.58 g/mol
LogP4.76
Rot. Bonds7

About 1-[3-(5-cyclobutyloxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone

1-[3-(5-cyclobutyloxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone (PubChem CID 163452078) has the molecular formula C25H28FN3O4S and a molecular weight of 485.58 g/mol. Its IUPAC name is 1-[3-(5-cyclobutyloxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-(5-cyclobutyloxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone
PubChem CID163452078
Molecular FormulaC25H28FN3O4S
Molecular Weight485.58 g/mol
Exact Mass485.18
IUPAC Name1-[3-(5-cyclobutyloxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone
SMILESCC(C)n1nc(-c2cc(OC3CCC3)ccc2F)c2ncc(C(=O)CC3(C)CS(=O)(=O)C3)cc21
InChIInChI=1S/C25H28FN3O4S/c1-15(2)29-21-9-16(22(30)11-25(3)13-34(31,32)14-25)12-27-24(21)23(28-29)19-10-18(7-8-20(19)26)33-17-5-4-6-17/h7-10,12,15,17H,4-6,11,13-14H2,1-3H3
InChIKeyCRMGWLXCPGKBPH-UHFFFAOYSA-N
XLogP4.76
TPSA91.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-(5-cyclobutyloxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone 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

1-[3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone
CID 163949364
1-[3-[2-fluoro-5-(1-fluoroethoxy)phenyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone
CID 163903202
1-[3-[3-(1-fluoroethoxy)phenyl]-1-[(2R,3R)-3-hydroxybutan-2-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone
CID 163724163
1-[3-[3-(1-fluoroethoxy)phenyl]-1-[(2R,3S)-3-hydroxybutan-2-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone
CID 163724164
3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(3-methylthietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
CID 162358879
1-[1-[(2S)-butan-2-yl]-3-[3-(1-fluoroethoxy)phenyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone
CID 163577776
1-[3-[3-(1-fluoroethoxy)phenyl]-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone
CID 163942667
(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-(1,1-difluoropropan-2-yl)-N-(3-methyl-1,1-dioxothietan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide
CID 167145176
3-iodo-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
CID 162359049
1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(2S)-2-hydroxycyclohexyl]ethanone
CID 163434168
(6R)-3-[5-(difluoromethoxy)-2-fluorophenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide
CID 164550924
1-[3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-[(3R)-3-(hydroxymethyl)oxolan-3-yl]ethanone
CID 163426910

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-cyclobutyloxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone?
The IUPAC name of 1-[3-(5-cyclobutyloxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone (CID 163452078) is 1-[3-(5-cyclobutyloxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone.
What is the SMILES notation for 1-[3-(5-cyclobutyloxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone?
The canonical SMILES for 1-[3-(5-cyclobutyloxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone is CC(C)n1nc(-c2cc(OC3CCC3)ccc2F)c2ncc(C(=O)CC3(C)CS(=O)(=O)C3)cc21.
What is the InChIKey of 1-[3-(5-cyclobutyloxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone?
The InChIKey is CRMGWLXCPGKBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4S/c1-15(2)29-21-9-16(22(30)11-25(3)13-34(31,32)14-25)12-27-24(21)23(28-29)19-10-18(7-8-20(19)26)33-17-5-4-6-17/h7-10,12,15,17H,4-6,11,13-14H2,1-3H3.
What are the key properties of 1-[3-(5-cyclobutyloxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone?
1-[3-(5-cyclobutyloxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone has a molecular weight of 485.58 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-cyclobutyloxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone is sourced from PubChem (CID 163452078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).