6-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

C23H24ClN5O4S2 — CID 10218183

IUPAC6-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)s5)CC4)cc3)cc2n(C)c1=O
InChIInChI=1S/C23H24ClN5O4S2/c1-26-19-13-18(25-21(19)22(30)27(2)23(26)31)15-3-6-17(7-4-15)35(32,33)29-11-9-28(10-12-29)14-16-5-8-20(24)34-16/h3-8,13,25H,9-12,14H2,1-2H3
InChIKeyIPPJNUFPGUBGGY-UHFFFAOYSA-N
MW534.06 g/mol
LogP2.45
Rot. Bonds5

About 6-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

6-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 10218183) has the molecular formula C23H24ClN5O4S2 and a molecular weight of 534.06 g/mol. Its IUPAC name is 6-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID10218183
Molecular FormulaC23H24ClN5O4S2
Molecular Weight534.06 g/mol
Exact Mass533.10
IUPAC Name6-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)s5)CC4)cc3)cc2n(C)c1=O
InChIInChI=1S/C23H24ClN5O4S2/c1-26-19-13-18(25-21(19)22(30)27(2)23(26)31)15-3-6-17(7-4-15)35(32,33)29-11-9-28(10-12-29)14-16-5-8-20(24)34-16/h3-8,13,25H,9-12,14H2,1-2H3
InChIKeyIPPJNUFPGUBGGY-UHFFFAOYSA-N
XLogP2.45
TPSA100.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.06
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione 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

N-(1-benzylpiperidin-4-yl)-4-(2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)benzenesulfonamide
CID 10153029
6-(4-(4-(3-fluorobenzyl)piperazin-1-ylsulfonyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CID 10196060
N-(1-(4-fluorobenzyl)piperidin-4-yl)-4-(1,3-diethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)benzenesulfonamide
CID 10196517
4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-(2-(pyridin-2-yl)ethyl)benzenesulfonamide
CID 10238677
4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-(2-(pyridin-2-yl)ethyl)benzenesulfonamide
CID 10288169
6-[4-(4-Benzylpiperazine-1-sulphonyl)phenyl]-1,3-dimethyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10311222
4-(1,3-diethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-(2-(pyridin-2-yl)ethyl)benzenesulfonamide
CID 44413096
4-((4-(4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenylsulfonyl)piperazin-1-yl)methyl)benzonitrile
CID 44413106
6-(4-(4-(4-fluorobenzyl)piperazin-1-ylsulfonyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CID 44413112
6-(4-(4-(3-fluorobenzyl)piperazin-1-ylsulfonyl)phenyl)-1,3-diethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CID 44413113
6-(4-(4-(2,4-difluorobenzyl)piperazin-1-ylsulfonyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CID 44413125
1,3-dimethyl-6-(4-(4-(pyridin-4-ylmethyl)piperazin-1-ylsulfonyl)phenyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CID 44413130

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 10218183) is 6-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)s5)CC4)cc3)cc2n(C)c1=O.
What is the InChIKey of 6-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is IPPJNUFPGUBGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O4S2/c1-26-19-13-18(25-21(19)22(30)27(2)23(26)31)15-3-6-17(7-4-15)35(32,33)29-11-9-28(10-12-29)14-16-5-8-20(24)34-16/h3-8,13,25H,9-12,14H2,1-2H3.
What are the key properties of 6-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
6-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 534.06 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10218183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).