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

C29H34N6O7S — CID 72946987

IUPACN-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3cc4c(C)nc(N)nc4n(C4CCC(OCCO)CC4)c3=O)cnc2OC)cc1
InChIInChI=1S/C29H34N6O7S/c1-17-23-15-24(28(37)35(26(23)33-29(30)32-17)19-4-6-21(7-5-19)42-13-12-36)18-14-25(27(41-3)31-16-18)34-43(38,39)22-10-8-20(40-2)9-11-22/h8-11,14-16,19,21,34,36H,4-7,12-13H2,1-3H3,(H2,30,32,33)
InChIKeyXOWVMRKVGVEWOC-UHFFFAOYSA-N
MW610.69 g/mol
LogP3.05
Rot. Bonds10

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-methoxybenzenesulfonamide

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 (PubChem CID 72946987) has the molecular formula C29H34N6O7S and a molecular weight of 610.69 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-methoxybenzenesulfonamide.

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-methoxybenzenesulfonamide
PubChem CID72946987
Molecular FormulaC29H34N6O7S
Molecular Weight610.69 g/mol
Exact Mass610.22
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-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3cc4c(C)nc(N)nc4n(C4CCC(OCCO)CC4)c3=O)cnc2OC)cc1
InChIInChI=1S/C29H34N6O7S/c1-17-23-15-24(28(37)35(26(23)33-29(30)32-17)19-4-6-21(7-5-19)42-13-12-36)18-14-25(27(41-3)31-16-18)34-43(38,39)22-10-8-20(40-2)9-11-22/h8-11,14-16,19,21,34,36H,4-7,12-13H2,1-3H3,(H2,30,32,33)
InChIKeyXOWVMRKVGVEWOC-UHFFFAOYSA-N
XLogP3.05
TPSA180.78 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.69
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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-methoxybenzenesulfonamide 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-methylbenzenesulfonamide
CID 72947197
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-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
CID 67238402
2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8-[(3S)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one
CID 45257087
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 118321323
2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 71131657
2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258910
(2R)-3-[6-[5-[(4-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 152962309
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
N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 141461668
N-[5-[2-amino-4-[(1R,5S)-8-[(E)-4-oxopent-2-enoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyrido[3,2-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]-2-fluorobenzenesulfonamide
CID 171633385

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-methoxybenzenesulfonamide?
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-methoxybenzenesulfonamide (CID 72946987) 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-methoxybenzenesulfonamide.
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-methoxybenzenesulfonamide?
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-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(-c3cc4c(C)nc(N)nc4n(C4CCC(OCCO)CC4)c3=O)cnc2OC)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-methoxybenzenesulfonamide?
The InChIKey is XOWVMRKVGVEWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O7S/c1-17-23-15-24(28(37)35(26(23)33-29(30)32-17)19-4-6-21(7-5-19)42-13-12-36)18-14-25(27(41-3)31-16-18)34-43(38,39)22-10-8-20(40-2)9-11-22/h8-11,14-16,19,21,34,36H,4-7,12-13H2,1-3H3,(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-methoxybenzenesulfonamide?
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 has a molecular weight of 610.69 g/mol, XLogP of 3.05, 10 rotatable bonds, 3 hydrogen bond donors, and 12 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-methoxybenzenesulfonamide is sourced from PubChem (CID 72946987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).