4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-pyridin-2-ylbenzenesulfonamide

C19H17N5O4S — CID 10237847

IUPAC4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-pyridin-2-ylbenzenesulfonamide
SMILESCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc2n(C)c1=O
InChIInChI=1S/C19H17N5O4S/c1-23-15-11-14(21-17(15)18(25)24(2)19(23)26)12-6-8-13(9-7-12)29(27,28)22-16-5-3-4-10-20-16/h3-11,21H,1-2H3,(H,20,22)
InChIKeyFDVCPEDATCIYGY-UHFFFAOYSA-N
MW411.44 g/mol
LogP1.43
Rot. Bonds4

About 4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-pyridin-2-ylbenzenesulfonamide

4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 10237847) has the molecular formula C19H17N5O4S and a molecular weight of 411.44 g/mol. Its IUPAC name is 4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-pyridin-2-ylbenzenesulfonamide
PubChem CID10237847
Molecular FormulaC19H17N5O4S
Molecular Weight411.44 g/mol
Exact Mass411.10
IUPAC Name4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-pyridin-2-ylbenzenesulfonamide
SMILESCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc2n(C)c1=O
InChIInChI=1S/C19H17N5O4S/c1-23-15-11-14(21-17(15)18(25)24(2)19(23)26)12-6-8-13(9-7-12)29(27,28)22-16-5-3-4-10-20-16/h3-11,21H,1-2H3,(H,20,22)
InChIKeyFDVCPEDATCIYGY-UHFFFAOYSA-N
XLogP1.43
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Azd2858
CID 10138980
N-{2-[(4-{Ethyl[3-(ethylamino)pyridin-2-yl]amino}piperidin-1-yl)carbonyl]-1H-indol-5-yl}propane-2-sulfonamide
CID 462970
Piperazine, 1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-
CID 454732
N-{2-[(4-{Ethyl[3-(ethylamino)pyridin-2-yl]amino}piperidin-1-yl)carbonyl]-1H-indol-5-yl}ethanesulfonamide
CID 462969
3-Amino-6-(4-{[2-(Dimethylamino)ethyl]sulfamoyl}phenyl)-N-Pyridin-3-Ylpyrazine-2-Carboxamide
CID 56962315
N-[4-(Piperidin-1-Ylsulfonyl)benzyl]-1h-Pyrrolo[3,2-C]pyridine-2-Carboxamide
CID 66610019
3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10142642
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-[4-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 10231705
1H-indol-2-yl-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;methanesulfonic acid
CID 10479329
6-(4-{[4-(4-bromobenzyl)piperazin-1-yl]sulfonyl}phenyl)-1,3-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CID 16037920
3-Amino-N-pyridin-3-yl-6-[4-(pyrrolidin-1-ylsulfonyl)phenyl]pyrazine-2-carboxamide
CID 10113102
3-amino-6-[4-[2-(dimethylamino)ethyl-ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10118131

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-pyridin-2-ylbenzenesulfonamide (CID 10237847) is 4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-pyridin-2-ylbenzenesulfonamide is Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc2n(C)c1=O.
What is the InChIKey of 4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is FDVCPEDATCIYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4S/c1-23-15-11-14(21-17(15)18(25)24(2)19(23)26)12-6-8-13(9-7-12)29(27,28)22-16-5-3-4-10-20-16/h3-11,21H,1-2H3,(H,20,22).
What are the key properties of 4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-pyridin-2-ylbenzenesulfonamide?
4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 411.44 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 10237847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).