4-(3-methoxyphenyl)-2-[[2-morpholin-4-yl-7-(4-sulfamoylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide

C29H31N7O6S2 — CID 91462676

IUPAC4-(3-methoxyphenyl)-2-[[2-morpholin-4-yl-7-(4-sulfamoylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
SMILESCOc1cccc(-c2ccc(S(N)(=O)=O)c(Nc3nc(N4CCOCC4)nc4c3CCN4c3ccc(S(N)(=O)=O)cc3)c2)c1
InChIInChI=1S/C29H31N7O6S2/c1-41-22-4-2-3-19(17-22)20-5-10-26(44(31,39)40)25(18-20)32-27-24-11-12-36(21-6-8-23(9-7-21)43(30,37)38)28(24)34-29(33-27)35-13-15-42-16-14-35/h2-10,17-18H,11-16H2,1H3,(H2,30,37,38)(H2,31,39,40)(H,32,33,34)
InChIKeyNLKDSFRAZYDLCU-UHFFFAOYSA-N
MW637.74 g/mol
LogP2.72
Rot. Bonds8

About 4-(3-methoxyphenyl)-2-[[2-morpholin-4-yl-7-(4-sulfamoylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide

4-(3-methoxyphenyl)-2-[[2-morpholin-4-yl-7-(4-sulfamoylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide (PubChem CID 91462676) has the molecular formula C29H31N7O6S2 and a molecular weight of 637.74 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-[[2-morpholin-4-yl-7-(4-sulfamoylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-[[2-morpholin-4-yl-7-(4-sulfamoylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
PubChem CID91462676
Molecular FormulaC29H31N7O6S2
Molecular Weight637.74 g/mol
Exact Mass637.18
IUPAC Name4-(3-methoxyphenyl)-2-[[2-morpholin-4-yl-7-(4-sulfamoylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
SMILESCOc1cccc(-c2ccc(S(N)(=O)=O)c(Nc3nc(N4CCOCC4)nc4c3CCN4c3ccc(S(N)(=O)=O)cc3)c2)c1
InChIInChI=1S/C29H31N7O6S2/c1-41-22-4-2-3-19(17-22)20-5-10-26(44(31,39)40)25(18-20)32-27-24-11-12-36(21-6-8-23(9-7-21)43(30,37)38)28(24)34-29(33-27)35-13-15-42-16-14-35/h2-10,17-18H,11-16H2,1H3,(H2,30,37,38)(H2,31,39,40)(H,32,33,34)
InChIKeyNLKDSFRAZYDLCU-UHFFFAOYSA-N
XLogP2.72
TPSA183.07 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.74
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 4-(3-methoxyphenyl)-2-[[2-morpholin-4-yl-7-(4-sulfamoylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide 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

3-[7-(4-methylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]aniline
CID 163802662
4-[7-(2,4-dimethylphenyl)-4-(3-methoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 67386081
methyl 3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]benzoate
CID 59244356
methyl 3-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]benzoate
CID 59245015
2-morpholin-4-yl-N-(oxetan-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine
CID 168923707
N,N-bis[(4-methoxyphenyl)methyl]-5-[2-morpholin-4-yl-7-(3-nitrophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 67385617
N,N-bis[(4-methoxyphenyl)methyl]-5-[2-morpholin-4-yl-7-(3-morpholin-4-ylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 67385447
4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 59244309
N-[3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 59244894
4-N-(4-methoxyphenyl)-2-morpholin-4-yl-5-nitropyrimidine-4,6-diamine
CID 3286273
3-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24890625
N,N-bis[(4-methoxyphenyl)methyl]-5-[7-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 67386151

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-[[2-morpholin-4-yl-7-(4-sulfamoylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide?
The IUPAC name of 4-(3-methoxyphenyl)-2-[[2-morpholin-4-yl-7-(4-sulfamoylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide (CID 91462676) is 4-(3-methoxyphenyl)-2-[[2-morpholin-4-yl-7-(4-sulfamoylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-[[2-morpholin-4-yl-7-(4-sulfamoylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-(3-methoxyphenyl)-2-[[2-morpholin-4-yl-7-(4-sulfamoylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide is COc1cccc(-c2ccc(S(N)(=O)=O)c(Nc3nc(N4CCOCC4)nc4c3CCN4c3ccc(S(N)(=O)=O)cc3)c2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-[[2-morpholin-4-yl-7-(4-sulfamoylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide?
The InChIKey is NLKDSFRAZYDLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O6S2/c1-41-22-4-2-3-19(17-22)20-5-10-26(44(31,39)40)25(18-20)32-27-24-11-12-36(21-6-8-23(9-7-21)43(30,37)38)28(24)34-29(33-27)35-13-15-42-16-14-35/h2-10,17-18H,11-16H2,1H3,(H2,30,37,38)(H2,31,39,40)(H,32,33,34).
What are the key properties of 4-(3-methoxyphenyl)-2-[[2-morpholin-4-yl-7-(4-sulfamoylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide?
4-(3-methoxyphenyl)-2-[[2-morpholin-4-yl-7-(4-sulfamoylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide has a molecular weight of 637.74 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-[[2-morpholin-4-yl-7-(4-sulfamoylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 91462676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).