6-bromo-8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine

C84H105BrN22O10S6 — CID 167625830

IUPAC6-bromo-8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(N)CC1.CSc1ncc2c(C)c(Br)c(=O)n(C3CCCC3)c2n1.CSc1ncc2c(C)c(C#N)c(=O)n(C3CCCC3)c2n1.CSc1ncc2c(C)cc(=O)n(C3CCCC3)c2n1.Cc1c(C#N)c(=O)n(C2CCCC2)c2nc(NC3CCN(S(C)(=O)=O)CC3)ncc12.Cc1c(C#N)c(=O)n(C2CCCC2)c2nc(S(C)=O)ncc12
InChIInChI=1S/C20H26N6O3S.C15H16N4O2S.C15H16N4OS.C14H16BrN3OS.C14H17N3OS.C6H14N2O2S/c1-13-16(11-21)19(27)26(15-5-3-4-6-15)18-17(13)12-22-20(24-18)23-14-7-9-25(10-8-14)30(2,28)29;1-9-11(7-16)14(20)19(10-5-3-4-6-10)13-12(9)8-17-15(18-13)22(2)21;1-9-11(7-16)14(20)19(10-5-3-4-6-10)13-12(9)8-17-15(18-13)21-2;1-8-10-7-16-14(20-2)17-12(10)18(13(19)11(8)15)9-5-3-4-6-9;1-9-7-12(18)17(10-5-3-4-6-10)13-11(9)8-15-14(16-13)19-2;1-11(9,10)8-4-2-6(7)3-5-8/h12,14-15H,3-10H2,1-2H3,(H,22,23,24);8,10H,3-6H2,1-2H3;8,10H,3-6H2,1-2H3;7,9H,3-6H2,1-2H3;7-8,10H,3-6H2,1-2H3;6H,2-5,7H2,1H3
InChIKeyNBVUJLAXLPSSQT-UHFFFAOYSA-N
MW1855.21 g/mol
LogP12.56
Rot. Bonds13

About 6-bromo-8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine

6-bromo-8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine (PubChem CID 167625830) has the molecular formula C84H105BrN22O10S6 and a molecular weight of 1855.21 g/mol. Its IUPAC name is 6-bromo-8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name6-bromo-8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine
PubChem CID167625830
Molecular FormulaC84H105BrN22O10S6
Molecular Weight1855.21 g/mol
Exact Mass1852.59
IUPAC Name6-bromo-8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(N)CC1.CSc1ncc2c(C)c(Br)c(=O)n(C3CCCC3)c2n1.CSc1ncc2c(C)c(C#N)c(=O)n(C3CCCC3)c2n1.CSc1ncc2c(C)cc(=O)n(C3CCCC3)c2n1.Cc1c(C#N)c(=O)n(C2CCCC2)c2nc(NC3CCN(S(C)(=O)=O)CC3)ncc12.Cc1c(C#N)c(=O)n(C2CCCC2)c2nc(S(C)=O)ncc12
InChIInChI=1S/C20H26N6O3S.C15H16N4O2S.C15H16N4OS.C14H16BrN3OS.C14H17N3OS.C6H14N2O2S/c1-13-16(11-21)19(27)26(15-5-3-4-6-15)18-17(13)12-22-20(24-18)23-14-7-9-25(10-8-14)30(2,28)29;1-9-11(7-16)14(20)19(10-5-3-4-6-10)13-12(9)8-17-15(18-13)22(2)21;1-9-11(7-16)14(20)19(10-5-3-4-6-10)13-12(9)8-17-15(18-13)21-2;1-8-10-7-16-14(20-2)17-12(10)18(13(19)11(8)15)9-5-3-4-6-9;1-9-7-12(18)17(10-5-3-4-6-10)13-11(9)8-15-14(16-13)19-2;1-11(9,10)8-4-2-6(7)3-5-8/h12,14-15H,3-10H2,1-2H3,(H,22,23,24);8,10H,3-6H2,1-2H3;8,10H,3-6H2,1-2H3;7,9H,3-6H2,1-2H3;7-8,10H,3-6H2,1-2H3;6H,2-5,7H2,1H3
InChIKeyNBVUJLAXLPSSQT-UHFFFAOYSA-N
XLogP12.56
TPSA440.15 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds13
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001855.21
LogP ≤ 512.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Analyze 6-bromo-8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155572209
8-cyclopentyl-2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine
CID 167674624
8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 11483180
8-cyclopentyl-6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253054
(1S,2S,4R)-bicyclo[2.2.1]heptan-2-amine;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carbaldehyde;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;bis(8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile);8-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;1-methylsulfonylpiperidin-4-amine
CID 167569522
2-[8-[(1R,2S)-2-methylcyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetonitrile
CID 134257184
ethyl 2-[8-cyclopentyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetate
CID 134247619
8-cyclopentyl-6-iodo-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 11395497
acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 143885415
8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458968
2-[4-(3-aminopyrrolidin-1-yl)-3-fluoroanilino]-6-bromo-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 10141784
8-cyclopentyl-7-oxo-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458593

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine?
The IUPAC name of 6-bromo-8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine (CID 167625830) is 6-bromo-8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for 6-bromo-8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for 6-bromo-8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine is CS(=O)(=O)N1CCC(N)CC1.CSc1ncc2c(C)c(Br)c(=O)n(C3CCCC3)c2n1.CSc1ncc2c(C)c(C#N)c(=O)n(C3CCCC3)c2n1.CSc1ncc2c(C)cc(=O)n(C3CCCC3)c2n1.Cc1c(C#N)c(=O)n(C2CCCC2)c2nc(NC3CCN(S(C)(=O)=O)CC3)ncc12.Cc1c(C#N)c(=O)n(C2CCCC2)c2nc(S(C)=O)ncc12.
What is the InChIKey of 6-bromo-8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine?
The InChIKey is NBVUJLAXLPSSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3S.C15H16N4O2S.C15H16N4OS.C14H16BrN3OS.C14H17N3OS.C6H14N2O2S/c1-13-16(11-21)19(27)26(15-5-3-4-6-15)18-17(13)12-22-20(24-18)23-14-7-9-25(10-8-14)30(2,28)29;1-9-11(7-16)14(20)19(10-5-3-4-6-10)13-12(9)8-17-15(18-13)22(2)21;1-9-11(7-16)14(20)19(10-5-3-4-6-10)13-12(9)8-17-15(18-13)21-2;1-8-10-7-16-14(20-2)17-12(10)18(13(19)11(8)15)9-5-3-4-6-9;1-9-7-12(18)17(10-5-3-4-6-10)13-11(9)8-15-14(16-13)19-2;1-11(9,10)8-4-2-6(7)3-5-8/h12,14-15H,3-10H2,1-2H3,(H,22,23,24);8,10H,3-6H2,1-2H3;8,10H,3-6H2,1-2H3;7,9H,3-6H2,1-2H3;7-8,10H,3-6H2,1-2H3;6H,2-5,7H2,1H3.
What are the key properties of 6-bromo-8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine?
6-bromo-8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine has a molecular weight of 1855.21 g/mol, XLogP of 12.56, 13 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 167625830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).