8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C27H27N5O4 — CID 58182579

IUPAC8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cc(C)cc(C)c1CN1C(=O)CCc2c(C(=O)CCc3cc(C4=NC=CC4)no3)ncnc21
InChIInChI=1S/C27H27N5O4/c1-16-11-17(2)20(24(12-16)35-3)14-32-25(34)9-7-19-26(29-15-30-27(19)32)23(33)8-6-18-13-22(31-36-18)21-5-4-10-28-21/h4,10-13,15H,5-9,14H2,1-3H3
InChIKeyRAMQGANGWZZTOJ-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.09
Rot. Bonds8

About 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 58182579) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID58182579
Molecular FormulaC27H27N5O4
Molecular Weight485.54 g/mol
Exact Mass485.21
IUPAC Name8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cc(C)cc(C)c1CN1C(=O)CCc2c(C(=O)CCc3cc(C4=NC=CC4)no3)ncnc21
InChIInChI=1S/C27H27N5O4/c1-16-11-17(2)20(24(12-16)35-3)14-32-25(34)9-7-19-26(29-15-30-27(19)32)23(33)8-6-18-13-22(31-36-18)21-5-4-10-28-21/h4,10-13,15H,5-9,14H2,1-3H3
InChIKeyRAMQGANGWZZTOJ-UHFFFAOYSA-N
XLogP4.09
TPSA110.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3,5-Dimethylisoxazol-4-yl)-6-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine
CID 131901099
8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 58182525
3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one
CID 58182558
4-[(3S)-3-[3-[5-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 58182576
dichloromethane;3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one
CID 123495274
5-Fluoro-4-(4-methoxyphenyl)-6-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]pyrimidine
CID 139027777
[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanone
CID 155948628
2-(4-Methoxyphenyl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 16670386
2-(2,5-Dimethoxyphenyl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 16670393
2-(4-Methoxyphenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 16670469
[1-(4-Methoxyphenyl)cyclopropyl]-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 16670533
[5-[(2,5-Dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 42287139

Frequently Asked Questions

What is the IUPAC name of 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 58182579) is 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is COc1cc(C)cc(C)c1CN1C(=O)CCc2c(C(=O)CCc3cc(C4=NC=CC4)no3)ncnc21.
What is the InChIKey of 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RAMQGANGWZZTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c1-16-11-17(2)20(24(12-16)35-3)14-32-25(34)9-7-19-26(29-15-30-27(19)32)23(33)8-6-18-13-22(31-36-18)21-5-4-10-28-21/h4,10-13,15H,5-9,14H2,1-3H3.
What are the key properties of 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 485.54 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 58182579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).