8-(6-acetyl-2-amino-7-methyl-4-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidin-5-yl)-2-methylchromen-4-one

C23H24N4O4 — CID 91145888

IUPAC8-(6-acetyl-2-amino-7-methyl-4-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidin-5-yl)-2-methylchromen-4-one
SMILESCC(=O)C1C(C)=Nc2nc(N)nc(OC(C)C)c2C1c1cccc2c(=O)cc(C)oc12
InChIInChI=1S/C23H24N4O4/c1-10(2)30-22-19-18(15-8-6-7-14-16(29)9-11(3)31-20(14)15)17(13(5)28)12(4)25-21(19)26-23(24)27-22/h6-10,17-18H,1-5H3,(H2,24,26,27)
InChIKeyWDCUAYUARHFDPT-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.70
Rot. Bonds4

About 8-(6-acetyl-2-amino-7-methyl-4-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidin-5-yl)-2-methylchromen-4-one

8-(6-acetyl-2-amino-7-methyl-4-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidin-5-yl)-2-methylchromen-4-one (PubChem CID 91145888) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 8-(6-acetyl-2-amino-7-methyl-4-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidin-5-yl)-2-methylchromen-4-one.

Molecular Properties

Compound Name8-(6-acetyl-2-amino-7-methyl-4-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidin-5-yl)-2-methylchromen-4-one
PubChem CID91145888
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name8-(6-acetyl-2-amino-7-methyl-4-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidin-5-yl)-2-methylchromen-4-one
SMILESCC(=O)C1C(C)=Nc2nc(N)nc(OC(C)C)c2C1c1cccc2c(=O)cc(C)oc12
InChIInChI=1S/C23H24N4O4/c1-10(2)30-22-19-18(15-8-6-7-14-16(29)9-11(3)31-20(14)15)17(13(5)28)12(4)25-21(19)26-23(24)27-22/h6-10,17-18H,1-5H3,(H2,24,26,27)
InChIKeyWDCUAYUARHFDPT-UHFFFAOYSA-N
XLogP3.70
TPSA120.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(4S)-3-acetyl-2,6-dimethyl-4-(2-methyl-4-oxochromen-8-yl)-3,4-dihydropyridine-5-carboxylic acid
CID 90873146
propyl (4S)-3-acetyl-2,6-dimethyl-4-(2-methyl-4-oxochromen-8-yl)-3,4-dihydropyridine-5-carboxylate
CID 91320214
ethyl 2,6-dimethyl-5-(4-methylbenzoyl)-4-(2-methyl-4-oxochromen-8-yl)-3,4-dihydropyridine-3-carboxylate
CID 90722936
cyclobutyl 5-cyano-2-methyl-4-(2-methyl-4-oxochromen-8-yl)-6-(trifluoromethyl)-3,4-dihydropyridine-3-carboxylate
CID 91573821
methyl 3-(2-cyclobutylacetyl)-2,6-dimethyl-4-(2-methyl-4-oxochromen-8-yl)-3,4-dihydropyridine-5-carboxylate
CID 91407632
propyl (4S)-3-cyano-2,6-dimethyl-4-(2-methyl-4-oxochromen-8-yl)-3,4-dihydropyridine-5-carboxylate
CID 90814243
8-amino-2-methylchromen-4-one
CID 147973217
8-[3-acetyl-5-(3-cyclobutylpropanoyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]-2-methylchromen-4-one
CID 15982195
8-(5-ethoxy-2,3-dimethyl-1,4-dihydro-1,6-naphthyridin-4-yl)-2-methylchromen-4-one
CID 69090450
ethyl (4S)-5-cyano-2-methyl-4-(2-methyl-4-oxochromen-8-yl)-6-(trifluoromethyl)-1,4-dihydropyridine-3-carboxylate
CID 66992017
2-cyanoethyl 5-ethoxy-2-methyl-4-(2-methyl-4-oxochromen-8-yl)-1,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 68598108
methyl 4-(2-bromophenyl)-2-methyl-5-propan-2-yloxy-3,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 54265133

Frequently Asked Questions

What is the IUPAC name of 8-(6-acetyl-2-amino-7-methyl-4-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidin-5-yl)-2-methylchromen-4-one?
The IUPAC name of 8-(6-acetyl-2-amino-7-methyl-4-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidin-5-yl)-2-methylchromen-4-one (CID 91145888) is 8-(6-acetyl-2-amino-7-methyl-4-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidin-5-yl)-2-methylchromen-4-one.
What is the SMILES notation for 8-(6-acetyl-2-amino-7-methyl-4-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidin-5-yl)-2-methylchromen-4-one?
The canonical SMILES for 8-(6-acetyl-2-amino-7-methyl-4-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidin-5-yl)-2-methylchromen-4-one is CC(=O)C1C(C)=Nc2nc(N)nc(OC(C)C)c2C1c1cccc2c(=O)cc(C)oc12.
What is the InChIKey of 8-(6-acetyl-2-amino-7-methyl-4-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidin-5-yl)-2-methylchromen-4-one?
The InChIKey is WDCUAYUARHFDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-10(2)30-22-19-18(15-8-6-7-14-16(29)9-11(3)31-20(14)15)17(13(5)28)12(4)25-21(19)26-23(24)27-22/h6-10,17-18H,1-5H3,(H2,24,26,27).
What are the key properties of 8-(6-acetyl-2-amino-7-methyl-4-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidin-5-yl)-2-methylchromen-4-one?
8-(6-acetyl-2-amino-7-methyl-4-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidin-5-yl)-2-methylchromen-4-one has a molecular weight of 420.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-acetyl-2-amino-7-methyl-4-propan-2-yloxy-5,6-dihydropyrido[2,3-d]pyrimidin-5-yl)-2-methylchromen-4-one is sourced from PubChem (CID 91145888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).