1-(benzenesulfonyl)-5-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine

C25H25FN4O4S — CID 59238627

IUPAC1-(benzenesulfonyl)-5-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4(F)CCC5(CC4)OCCO5)cc23)cn1
InChIInChI=1S/C25H25FN4O4S/c1-29-16-18(14-28-29)22-17-30(35(31,32)20-5-3-2-4-6-20)23-21(22)13-19(15-27-23)24(26)7-9-25(10-8-24)33-11-12-34-25/h2-6,13-17H,7-12H2,1H3
InChIKeyUTMIBPPNNVORBA-UHFFFAOYSA-N
MW496.56 g/mol
LogP4.16
Rot. Bonds4

About 1-(benzenesulfonyl)-5-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-5-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine (PubChem CID 59238627) has the molecular formula C25H25FN4O4S and a molecular weight of 496.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
PubChem CID59238627
Molecular FormulaC25H25FN4O4S
Molecular Weight496.56 g/mol
Exact Mass496.16
IUPAC Name1-(benzenesulfonyl)-5-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4(F)CCC5(CC4)OCCO5)cc23)cn1
InChIInChI=1S/C25H25FN4O4S/c1-29-16-18(14-28-29)22-17-30(35(31,32)20-5-3-2-4-6-20)23-21(22)13-19(15-27-23)24(26)7-9-25(10-8-24)33-11-12-34-25/h2-6,13-17H,7-12H2,1H3
InChIKeyUTMIBPPNNVORBA-UHFFFAOYSA-N
XLogP4.16
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(benzenesulfonyl)-5-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-5-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine (CID 59238627) is 1-(benzenesulfonyl)-5-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-5-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine is Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4(F)CCC5(CC4)OCCO5)cc23)cn1.
What is the InChIKey of 1-(benzenesulfonyl)-5-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is UTMIBPPNNVORBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4S/c1-29-16-18(14-28-29)22-17-30(35(31,32)20-5-3-2-4-6-20)23-21(22)13-19(15-27-23)24(26)7-9-25(10-8-24)33-11-12-34-25/h2-6,13-17H,7-12H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-5-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-5-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 496.56 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59238627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).