1-[1-(benzenesulfonyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-cyclopentylpropan-2-ol

C26H32N2O5S — CID 67228478

IUPAC1-[1-(benzenesulfonyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-cyclopentylpropan-2-ol
SMILESCC1(C)OCC(c2cnc3c(c2)cc(CC(O)CC2CCCC2)n3S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C26H32N2O5S/c1-26(2)32-17-24(33-26)20-13-19-14-21(15-22(29)12-18-8-6-7-9-18)28(25(19)27-16-20)34(30,31)23-10-4-3-5-11-23/h3-5,10-11,13-14,16,18,22,24,29H,6-9,12,15,17H2,1-2H3
InChIKeyIDWZWALLHWWOMC-UHFFFAOYSA-N
MW484.62 g/mol
LogP4.58
Rot. Bonds7

About 1-[1-(benzenesulfonyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-cyclopentylpropan-2-ol

1-[1-(benzenesulfonyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-cyclopentylpropan-2-ol (PubChem CID 67228478) has the molecular formula C26H32N2O5S and a molecular weight of 484.62 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-cyclopentylpropan-2-ol
PubChem CID67228478
Molecular FormulaC26H32N2O5S
Molecular Weight484.62 g/mol
Exact Mass484.20
IUPAC Name1-[1-(benzenesulfonyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-cyclopentylpropan-2-ol
SMILESCC1(C)OCC(c2cnc3c(c2)cc(CC(O)CC2CCCC2)n3S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C26H32N2O5S/c1-26(2)32-17-24(33-26)20-13-19-14-21(15-22(29)12-18-8-6-7-9-18)28(25(19)27-16-20)34(30,31)23-10-4-3-5-11-23/h3-5,10-11,13-14,16,18,22,24,29H,6-9,12,15,17H2,1-2H3
InChIKeyIDWZWALLHWWOMC-UHFFFAOYSA-N
XLogP4.58
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(benzenesulfonyl)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethanol
CID 67229243
1-(benzenesulfonyl)-2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrrolo[2,3-b]pyridine
CID 67228127
tert-butyl N-[1-(benzenesulfonyl)-2-[1-hydroxy-2-(oxan-4-yl)ethyl]pyrrolo[2,3-b]pyridin-5-yl]carbamate
CID 67229027
1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine
CID 68951720
1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclobutyl-2-(4-methylsulfanylphenyl)ethanol
CID 123573904
1-(benzenesulfonyl)-2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]pyrrolo[2,3-b]pyridin-5-ol
CID 67228595
2-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]pyrrolidine-1-sulfonic acid
CID 76692976
4-[1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclobutyl-1-hydroxyethyl]-N-methylbenzenesulfonamide
CID 67262122
1-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-2-(5-bromo-2-pyridinyl)-2-cyclopentylethanol
CID 123439948
[(Z)-1-[1-(benzenesulfonyl)-5-ethylsulfinylpyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethenyl] 4-methylbenzenesulfonate
CID 87316440
1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine
CID 121228705
(4aS,7aS)-5-(benzenesulfonyl)-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrol-6-ol
CID 11056089

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-[1-(benzenesulfonyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-cyclopentylpropan-2-ol (CID 67228478) is 1-[1-(benzenesulfonyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-[1-(benzenesulfonyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-[1-(benzenesulfonyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-cyclopentylpropan-2-ol is CC1(C)OCC(c2cnc3c(c2)cc(CC(O)CC2CCCC2)n3S(=O)(=O)c2ccccc2)O1.
What is the InChIKey of 1-[1-(benzenesulfonyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-cyclopentylpropan-2-ol?
The InChIKey is IDWZWALLHWWOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O5S/c1-26(2)32-17-24(33-26)20-13-19-14-21(15-22(29)12-18-8-6-7-9-18)28(25(19)27-16-20)34(30,31)23-10-4-3-5-11-23/h3-5,10-11,13-14,16,18,22,24,29H,6-9,12,15,17H2,1-2H3.
What are the key properties of 1-[1-(benzenesulfonyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-cyclopentylpropan-2-ol?
1-[1-(benzenesulfonyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-cyclopentylpropan-2-ol has a molecular weight of 484.62 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 67228478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).