N-[5-chloro-2-[4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C24H22ClF2N7O4S2 — CID 151913366

IUPACN-[5-chloro-2-[4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCS(=O)(=O)N1CCC(Nc2ncnc3ccc(-c4ncc(Cl)cc4NS(=O)(=O)c4ccc(F)cc4F)nc23)CC1
InChIInChI=1S/C24H22ClF2N7O4S2/c1-39(35,36)34-8-6-16(7-9-34)31-24-23-18(29-13-30-24)3-4-19(32-23)22-20(10-14(25)12-28-22)33-40(37,38)21-5-2-15(26)11-17(21)27/h2-5,10-13,16,33H,6-9H2,1H3,(H,29,30,31)
InChIKeySVGCJHQMHZOKBS-UHFFFAOYSA-N
MW610.07 g/mol
LogP3.66
Rot. Bonds7

About N-[5-chloro-2-[4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-chloro-2-[4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 151913366) has the molecular formula C24H22ClF2N7O4S2 and a molecular weight of 610.07 g/mol. Its IUPAC name is N-[5-chloro-2-[4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-[4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID151913366
Molecular FormulaC24H22ClF2N7O4S2
Molecular Weight610.07 g/mol
Exact Mass609.08
IUPAC NameN-[5-chloro-2-[4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCS(=O)(=O)N1CCC(Nc2ncnc3ccc(-c4ncc(Cl)cc4NS(=O)(=O)c4ccc(F)cc4F)nc23)CC1
InChIInChI=1S/C24H22ClF2N7O4S2/c1-39(35,36)34-8-6-16(7-9-34)31-24-23-18(29-13-30-24)3-4-19(32-23)22-20(10-14(25)12-28-22)33-40(37,38)21-5-2-15(26)11-17(21)27/h2-5,10-13,16,33H,6-9H2,1H3,(H,29,30,31)
InChIKeySVGCJHQMHZOKBS-UHFFFAOYSA-N
XLogP3.66
TPSA147.14 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.07
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-chloro-2-[4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide with MolForge

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Related Compounds

Falnidamol
CID 6918508
4-[[[6-(6-Fluoro-3-pyridyl)-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
CID 49773659
N-(5-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)pyridin-2-ylamino)-2-chloropyridin-3-YL)-4-fluorobenzenesulfonamide
CID 59548448
2-N-(3-chloro-4-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 137640710
2-N-(4-chloro-3-fluorophenyl)-4-N-(1-methylpiperidin-4-yl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 137653280
6-chloro-N-[1-[[1-(4-pyridin-4-ylsulfonylphenyl)azetidin-3-yl]methyl]piperidin-4-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 168280574
6-chloro-N-[1-[[1-(4-pyridin-2-ylsulfonylphenyl)azetidin-3-yl]methyl]piperidin-4-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 168289220
(3R,6R)-3-[5-[(7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-fluorophenyl]-6-fluoro-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 117870471
N-{6-chloro-4-methyl-2'-[(2-methylpyrimidin-4-yl)amino]-3,4'-bipyridin-5-yl}-2,4-difluorobenzenesulfonamide
CID 118237918
N-{6-chloro-5'-fluoro-4-methyl-2'-[(2-methylpyrimidin-4-yl)amino]-3,4'-bipyridin-5-yl}-2,4-difluorobenzenesulfonamide
CID 118238015
N-[2-chloro-5-[2-[(2-methoxypyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 118249105
N-[2-chloro-5-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-4-pyridinyl]-4-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 118249202

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-chloro-2-[4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 151913366) is N-[5-chloro-2-[4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-[4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-[4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide is CS(=O)(=O)N1CCC(Nc2ncnc3ccc(-c4ncc(Cl)cc4NS(=O)(=O)c4ccc(F)cc4F)nc23)CC1.
What is the InChIKey of N-[5-chloro-2-[4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is SVGCJHQMHZOKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF2N7O4S2/c1-39(35,36)34-8-6-16(7-9-34)31-24-23-18(29-13-30-24)3-4-19(32-23)22-20(10-14(25)12-28-22)33-40(37,38)21-5-2-15(26)11-17(21)27/h2-5,10-13,16,33H,6-9H2,1H3,(H,29,30,31).
What are the key properties of N-[5-chloro-2-[4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-chloro-2-[4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 610.07 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[4-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 151913366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).