(3R)-4-[2-(1H-indol-4-yl)-7-(4-phenylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

C31H27N5O3S — CID 177380509

IUPAC(3R)-4-[2-(1H-indol-4-yl)-7-(4-phenylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1ccn2S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H27N5O3S/c1-21-20-39-19-18-35(21)30-27-15-17-36(31(27)34-29(33-30)26-8-5-9-28-25(26)14-16-32-28)40(37,38)24-12-10-23(11-13-24)22-6-3-2-4-7-22/h2-17,21,32H,18-20H2,1H3/t21-/m1/s1
InChIKeyLPACXTGOTAUOGY-OAQYLSRUSA-N
MW549.66 g/mol
LogP5.71
Rot. Bonds5

About (3R)-4-[2-(1H-indol-4-yl)-7-(4-phenylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

(3R)-4-[2-(1H-indol-4-yl)-7-(4-phenylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 177380509) has the molecular formula C31H27N5O3S and a molecular weight of 549.66 g/mol. Its IUPAC name is (3R)-4-[2-(1H-indol-4-yl)-7-(4-phenylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[2-(1H-indol-4-yl)-7-(4-phenylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID177380509
Molecular FormulaC31H27N5O3S
Molecular Weight549.66 g/mol
Exact Mass549.18
IUPAC Name(3R)-4-[2-(1H-indol-4-yl)-7-(4-phenylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1ccn2S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H27N5O3S/c1-21-20-39-19-18-35(21)30-27-15-17-36(31(27)34-29(33-30)26-8-5-9-28-25(26)14-16-32-28)40(37,38)24-12-10-23(11-13-24)22-6-3-2-4-7-22/h2-17,21,32H,18-20H2,1H3/t21-/m1/s1
InChIKeyLPACXTGOTAUOGY-OAQYLSRUSA-N
XLogP5.71
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.66
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-4-[2-(1H-indol-4-yl)-7-(4-phenylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-3-methylmorpholine 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 (3R)-4-[2-(1H-indol-4-yl)-7-(4-phenylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[2-(1H-indol-4-yl)-7-(4-phenylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (CID 177380509) is (3R)-4-[2-(1H-indol-4-yl)-7-(4-phenylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[2-(1H-indol-4-yl)-7-(4-phenylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[2-(1H-indol-4-yl)-7-(4-phenylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)nc2c1ccn2S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3R)-4-[2-(1H-indol-4-yl)-7-(4-phenylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is LPACXTGOTAUOGY-OAQYLSRUSA-N. The full InChI is InChI=1S/C31H27N5O3S/c1-21-20-39-19-18-35(21)30-27-15-17-36(31(27)34-29(33-30)26-8-5-9-28-25(26)14-16-32-28)40(37,38)24-12-10-23(11-13-24)22-6-3-2-4-7-22/h2-17,21,32H,18-20H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-4-[2-(1H-indol-4-yl)-7-(4-phenylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
(3R)-4-[2-(1H-indol-4-yl)-7-(4-phenylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 549.66 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-(1H-indol-4-yl)-7-(4-phenylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 177380509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).