N-[3-[4-amino-2-(2-amino-4-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide

C24H17F3N8O2S — CID 156677344

IUPACN-[3-[4-amino-2-(2-amino-4-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
SMILESCc1nc(N)ncc1-c1nc(N)c2nc(-c3cccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)ccc2n1
InChIInChI=1S/C24H17F3N8O2S/c1-11-14(10-30-24(29)31-11)23-33-18-8-7-16(32-21(18)22(28)34-23)13-3-2-4-17(20(13)27)35-38(36,37)19-9-12(25)5-6-15(19)26/h2-10,35H,1H3,(H2,28,33,34)(H2,29,30,31)
InChIKeyZVPSEWYLXBXOML-UHFFFAOYSA-N
MW538.52 g/mol
LogP3.84
Rot. Bonds5

About N-[3-[4-amino-2-(2-amino-4-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide

N-[3-[4-amino-2-(2-amino-4-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide (PubChem CID 156677344) has the molecular formula C24H17F3N8O2S and a molecular weight of 538.52 g/mol. Its IUPAC name is N-[3-[4-amino-2-(2-amino-4-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-amino-2-(2-amino-4-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
PubChem CID156677344
Molecular FormulaC24H17F3N8O2S
Molecular Weight538.52 g/mol
Exact Mass538.11
IUPAC NameN-[3-[4-amino-2-(2-amino-4-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
SMILESCc1nc(N)ncc1-c1nc(N)c2nc(-c3cccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)ccc2n1
InChIInChI=1S/C24H17F3N8O2S/c1-11-14(10-30-24(29)31-11)23-33-18-8-7-16(32-21(18)22(28)34-23)13-3-2-4-17(20(13)27)35-38(36,37)19-9-12(25)5-6-15(19)26/h2-10,35H,1H3,(H2,28,33,34)(H2,29,30,31)
InChIKeyZVPSEWYLXBXOML-UHFFFAOYSA-N
XLogP3.84
TPSA162.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.52
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[3-[4-amino-2-(2-amino-4-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide with MolForge

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Related Compounds

N-[3-[4-amino-2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;ethoxyethane
CID 161393789
N-[3-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
CID 138707698
N-[3-[6-(2-aminopyrimidin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylphenyl]-2,5-difluorobenzenesulfonamide
CID 172875457
N-[3-[4-amino-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide
CID 156677450
N-[3-[4-amino-2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide
CID 156677393
N-[3-[4-amino-2-(6-amino-5-methyl-3-pyridinyl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide;ethoxyethane
CID 159532675
N-[3-[4-amino-2-[6-(3-hydroxypropylamino)-3-pyridinyl]pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide
CID 156677399
[3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate
CID 174629530
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
N-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 88922436
N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
CID 56653051
N-[3-(2-aminoquinazolin-5-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833405

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-amino-2-(2-amino-4-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[3-[4-amino-2-(2-amino-4-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide (CID 156677344) is N-[3-[4-amino-2-(2-amino-4-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[4-amino-2-(2-amino-4-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-[4-amino-2-(2-amino-4-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide is Cc1nc(N)ncc1-c1nc(N)c2nc(-c3cccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)ccc2n1.
What is the InChIKey of N-[3-[4-amino-2-(2-amino-4-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is ZVPSEWYLXBXOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N8O2S/c1-11-14(10-30-24(29)31-11)23-33-18-8-7-16(32-21(18)22(28)34-23)13-3-2-4-17(20(13)27)35-38(36,37)19-9-12(25)5-6-15(19)26/h2-10,35H,1H3,(H2,28,33,34)(H2,29,30,31).
What are the key properties of N-[3-[4-amino-2-(2-amino-4-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide?
N-[3-[4-amino-2-(2-amino-4-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 538.52 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-amino-2-(2-amino-4-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 156677344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).