4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine

C26H31N5O3S — CID 59128665

IUPAC4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCC(C)Cc1cnc2c(c1)c(-c1cnn(CCN3CCOCC3)c1)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H31N5O3S/c1-20(2)14-21-15-24-25(22-17-28-30(18-22)9-8-29-10-12-34-13-11-29)19-31(26(24)27-16-21)35(32,33)23-6-4-3-5-7-23/h3-7,15-20H,8-14H2,1-2H3
InChIKeyXZOOBQFSQFGLBM-UHFFFAOYSA-N
MW493.63 g/mol
LogP3.67
Rot. Bonds8

About 4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine

4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 59128665) has the molecular formula C26H31N5O3S and a molecular weight of 493.63 g/mol. Its IUPAC name is 4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
PubChem CID59128665
Molecular FormulaC26H31N5O3S
Molecular Weight493.63 g/mol
Exact Mass493.21
IUPAC Name4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCC(C)Cc1cnc2c(c1)c(-c1cnn(CCN3CCOCC3)c1)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H31N5O3S/c1-20(2)14-21-15-24-25(22-17-28-30(18-22)9-8-29-10-12-34-13-11-29)19-31(26(24)27-16-21)35(32,33)23-6-4-3-5-7-23/h3-7,15-20H,8-14H2,1-2H3
InChIKeyXZOOBQFSQFGLBM-UHFFFAOYSA-N
XLogP3.67
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine 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 4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine (CID 59128665) is 4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine is CC(C)Cc1cnc2c(c1)c(-c1cnn(CCN3CCOCC3)c1)cn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is XZOOBQFSQFGLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3S/c1-20(2)14-21-15-24-25(22-17-28-30(18-22)9-8-29-10-12-34-13-11-29)19-31(26(24)27-16-21)35(32,33)23-6-4-3-5-7-23/h3-7,15-20H,8-14H2,1-2H3.
What are the key properties of 4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 493.63 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1-(benzenesulfonyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 59128665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).