6-chloro-2-[4-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C23H25ClN6O2 — CID 170954212

IUPAC6-chloro-2-[4-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCOCc1cc(-c2ccc(Nc3ncc4cc(Cl)c(=O)n(C(C)C)c4n3)c(C)c2)n(C)n1
InChIInChI=1S/C23H25ClN6O2/c1-13(2)30-21-16(9-18(24)22(30)31)11-25-23(27-21)26-19-7-6-15(8-14(19)3)20-10-17(12-32-5)28-29(20)4/h6-11,13H,12H2,1-5H3,(H,25,26,27)
InChIKeyQASRRCBXIAILBM-UHFFFAOYSA-N
MW452.95 g/mol
LogP4.62
Rot. Bonds6

About 6-chloro-2-[4-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

6-chloro-2-[4-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 170954212) has the molecular formula C23H25ClN6O2 and a molecular weight of 452.95 g/mol. Its IUPAC name is 6-chloro-2-[4-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-chloro-2-[4-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID170954212
Molecular FormulaC23H25ClN6O2
Molecular Weight452.95 g/mol
Exact Mass452.17
IUPAC Name6-chloro-2-[4-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCOCc1cc(-c2ccc(Nc3ncc4cc(Cl)c(=O)n(C(C)C)c4n3)c(C)c2)n(C)n1
InChIInChI=1S/C23H25ClN6O2/c1-13(2)30-21-16(9-18(24)22(30)31)11-25-23(27-21)26-19-7-6-15(8-14(19)3)20-10-17(12-32-5)28-29(20)4/h6-11,13H,12H2,1-5H3,(H,25,26,27)
InChIKeyQASRRCBXIAILBM-UHFFFAOYSA-N
XLogP4.62
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954436
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-[(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)sulfinyl]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170952988
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
6-(difluoromethyl)-2-(4-ethylsulfinyl-2-methylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954312
4-[[6-chloro-8-(3-hydroxy-3-methylbutan-2-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-iodo-3-methylbenzenesulfonamide
CID 170954005
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-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954287
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
6-chloro-8-cyclopentyl-2-[2-methyl-4-(2-methylpropylsulfonyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 171598517
6-chloro-8-cyclopentyl-2-[2-methyl-4-(propan-2-ylamino)sulfanylanilino]pyrido[2,3-d]pyrimidin-7-one
CID 170951887
6-chloro-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 171599036

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-chloro-2-[4-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 170954212) is 6-chloro-2-[4-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-chloro-2-[4-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-chloro-2-[4-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is COCc1cc(-c2ccc(Nc3ncc4cc(Cl)c(=O)n(C(C)C)c4n3)c(C)c2)n(C)n1.
What is the InChIKey of 6-chloro-2-[4-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QASRRCBXIAILBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O2/c1-13(2)30-21-16(9-18(24)22(30)31)11-25-23(27-21)26-19-7-6-15(8-14(19)3)20-10-17(12-32-5)28-29(20)4/h6-11,13H,12H2,1-5H3,(H,25,26,27).
What are the key properties of 6-chloro-2-[4-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
6-chloro-2-[4-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 452.95 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylanilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170954212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).