6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C22H26ClN5O3S — CID 171599036

IUPAC6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(S(=O)(=O)N2CCC(Nc3ncc4cc(Cl)c(=O)n(C(C)C)c4n3)CC2)cc1
InChIInChI=1S/C22H26ClN5O3S/c1-14(2)28-20-16(12-19(23)21(28)29)13-24-22(26-20)25-17-8-10-27(11-9-17)32(30,31)18-6-4-15(3)5-7-18/h4-7,12-14,17H,8-11H2,1-3H3,(H,24,25,26)
InChIKeyIPSPHHFOXGUVOV-UHFFFAOYSA-N
MW476.00 g/mol
LogP3.60
Rot. Bonds5

About 6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 171599036) has the molecular formula C22H26ClN5O3S and a molecular weight of 476.00 g/mol. Its IUPAC name is 6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID171599036
Molecular FormulaC22H26ClN5O3S
Molecular Weight476.00 g/mol
Exact Mass475.14
IUPAC Name6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(S(=O)(=O)N2CCC(Nc3ncc4cc(Cl)c(=O)n(C(C)C)c4n3)CC2)cc1
InChIInChI=1S/C22H26ClN5O3S/c1-14(2)28-20-16(12-19(23)21(28)29)13-24-22(26-20)25-17-8-10-27(11-9-17)32(30,31)18-6-4-15(3)5-7-18/h4-7,12-14,17H,8-11H2,1-3H3,(H,24,25,26)
InChIKeyIPSPHHFOXGUVOV-UHFFFAOYSA-N
XLogP3.60
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954287
6-chloro-5-[2-[6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]propyl]-2-[5-(methoxymethyl)-2-methylanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954296
6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 164925501
6-chloro-2-[[4-(1-methylpyrazol-4-yl)sulfonylcyclohexyl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954419
6-chloro-2-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylanilino]-8-(1,1,1-trifluoropropan-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 170951984
2-[[4-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]sulfonylcyclohexyl]amino]-6-chloro-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954405
2-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]amino]-6-(difluoromethoxy)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]pyrido[2,3-d]pyrimidin-7-one
CID 167214409
6-chloro-8-[(1S,3S)-3-hydroxycyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253128
3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine
CID 136512662
6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine
CID 75521032
2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-6-(4-fluoro-2-methylphenoxy)-8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162324159
8-methyl-6-(2-methylphenyl)-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 159644051

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 171599036) is 6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is Cc1ccc(S(=O)(=O)N2CCC(Nc3ncc4cc(Cl)c(=O)n(C(C)C)c4n3)CC2)cc1.
What is the InChIKey of 6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IPSPHHFOXGUVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O3S/c1-14(2)28-20-16(12-19(23)21(28)29)13-24-22(26-20)25-17-8-10-27(11-9-17)32(30,31)18-6-4-15(3)5-7-18/h4-7,12-14,17H,8-11H2,1-3H3,(H,24,25,26).
What are the key properties of 6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 476.00 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 171599036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).