N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide

C29H34N6O6S — CID 72947197

IUPACN-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCOc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCCO)CC3)c2=O)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C29H34N6O6S/c1-17-4-10-22(11-5-17)42(38,39)34-25-14-19(16-31-27(25)40-3)24-15-23-18(2)32-29(30)33-26(23)35(28(24)37)20-6-8-21(9-7-20)41-13-12-36/h4-5,10-11,14-16,20-21,34,36H,6-9,12-13H2,1-3H3,(H2,30,32,33)
InChIKeyFJPQPSSOPQLRNB-UHFFFAOYSA-N
MW594.69 g/mol
LogP3.35
Rot. Bonds9

About N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide

N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 72947197) has the molecular formula C29H34N6O6S and a molecular weight of 594.69 g/mol. Its IUPAC name is N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID72947197
Molecular FormulaC29H34N6O6S
Molecular Weight594.69 g/mol
Exact Mass594.23
IUPAC NameN-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCOc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCCO)CC3)c2=O)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C29H34N6O6S/c1-17-4-10-22(11-5-17)42(38,39)34-25-14-19(16-31-27(25)40-3)24-15-23-18(2)32-29(30)33-26(23)35(28(24)37)20-6-8-21(9-7-20)41-13-12-36/h4-5,10-11,14-16,20-21,34,36H,6-9,12-13H2,1-3H3,(H2,30,32,33)
InChIKeyFJPQPSSOPQLRNB-UHFFFAOYSA-N
XLogP3.35
TPSA171.55 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.69
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 72946987
N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide
CID 72946778
2-[4-[2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
CID 25032388
2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
CID 67238402
2-amino-6-benzyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-6-bromo-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;aniline;methane
CID 160906327
CID 88936750
CID 88936750
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 118321323
(2R)-3-[6-[5-[(4-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 152962309
N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 141461668
(2S)-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 152946077
2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 67240606
N-[5-[2-amino-4-methyl-8-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197556

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide (CID 72947197) is N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide is COc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCCO)CC3)c2=O)cc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is FJPQPSSOPQLRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O6S/c1-17-4-10-22(11-5-17)42(38,39)34-25-14-19(16-31-27(25)40-3)24-15-23-18(2)32-29(30)33-26(23)35(28(24)37)20-6-8-21(9-7-20)41-13-12-36/h4-5,10-11,14-16,20-21,34,36H,6-9,12-13H2,1-3H3,(H2,30,32,33).
What are the key properties of N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide?
N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 594.69 g/mol, XLogP of 3.35, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 72947197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).