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

C20H25ClN6O3S — CID 170954419

IUPAC6-chloro-2-[[4-(1-methylpyrazol-4-yl)sulfonylcyclohexyl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)c(Cl)cc2cnc(NC3CCC(S(=O)(=O)c4cnn(C)c4)CC3)nc21
InChIInChI=1S/C20H25ClN6O3S/c1-12(2)27-18-13(8-17(21)19(27)28)9-22-20(25-18)24-14-4-6-15(7-5-14)31(29,30)16-10-23-26(3)11-16/h8-12,14-15H,4-7H2,1-3H3,(H,22,24,25)
InChIKeyJGVMSCGNYLGQAF-UHFFFAOYSA-N
MW464.98 g/mol
LogP2.96
Rot. Bonds5

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

6-chloro-2-[[4-(1-methylpyrazol-4-yl)sulfonylcyclohexyl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 170954419) has the molecular formula C20H25ClN6O3S and a molecular weight of 464.98 g/mol. Its IUPAC name is 6-chloro-2-[[4-(1-methylpyrazol-4-yl)sulfonylcyclohexyl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-chloro-2-[[4-(1-methylpyrazol-4-yl)sulfonylcyclohexyl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID170954419
Molecular FormulaC20H25ClN6O3S
Molecular Weight464.98 g/mol
Exact Mass464.14
IUPAC Name6-chloro-2-[[4-(1-methylpyrazol-4-yl)sulfonylcyclohexyl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)c(Cl)cc2cnc(NC3CCC(S(=O)(=O)c4cnn(C)c4)CC3)nc21
InChIInChI=1S/C20H25ClN6O3S/c1-12(2)27-18-13(8-17(21)19(27)28)9-22-20(25-18)24-14-4-6-15(7-5-14)31(29,30)16-10-23-26(3)11-16/h8-12,14-15H,4-7H2,1-3H3,(H,22,24,25)
InChIKeyJGVMSCGNYLGQAF-UHFFFAOYSA-N
XLogP2.96
TPSA111.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.98
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-chloro-2-[[4-(1-methylpyrazol-4-yl)sulfonylcyclohexyl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954287
6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 171599036
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
6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 164925501
6-chloro-8-(1-cyclopropylethyl)-2-[2-methyl-4-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 171598714
2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178088
2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146892
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-chloro-2-[2-methyl-4-(methylsulfanylmethyl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954194
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
9-cyclopentyl-7-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]purin-8-one
CID 177341136
6-chloro-8-[(1S,3S)-3-hydroxycyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253128

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[4-(1-methylpyrazol-4-yl)sulfonylcyclohexyl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-chloro-2-[[4-(1-methylpyrazol-4-yl)sulfonylcyclohexyl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 170954419) is 6-chloro-2-[[4-(1-methylpyrazol-4-yl)sulfonylcyclohexyl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-chloro-2-[[4-(1-methylpyrazol-4-yl)sulfonylcyclohexyl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-chloro-2-[[4-(1-methylpyrazol-4-yl)sulfonylcyclohexyl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)c(Cl)cc2cnc(NC3CCC(S(=O)(=O)c4cnn(C)c4)CC3)nc21.
What is the InChIKey of 6-chloro-2-[[4-(1-methylpyrazol-4-yl)sulfonylcyclohexyl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JGVMSCGNYLGQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6O3S/c1-12(2)27-18-13(8-17(21)19(27)28)9-22-20(25-18)24-14-4-6-15(7-5-14)31(29,30)16-10-23-26(3)11-16/h8-12,14-15H,4-7H2,1-3H3,(H,22,24,25).
What are the key properties of 6-chloro-2-[[4-(1-methylpyrazol-4-yl)sulfonylcyclohexyl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
6-chloro-2-[[4-(1-methylpyrazol-4-yl)sulfonylcyclohexyl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 464.98 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[4-(1-methylpyrazol-4-yl)sulfonylcyclohexyl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170954419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).