2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C23H31N5O3 — CID 92630007

IUPAC2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cc(C(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC(C)C)C(=O)CC3)on1
InChIInChI=1S/C23H31N5O3/c1-5-16-12-19(31-26-16)23(30)27-11-7-6-8-18(27)21-24-15(4)17-9-10-20(29)28(13-14(2)3)22(17)25-21/h12,14,18H,5-11,13H2,1-4H3/t18-/m1/s1
InChIKeyACEVPRJCDLFCFP-GOSISDBHSA-N
MW425.53 g/mol
LogP3.64
Rot. Bonds5

About 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92630007) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92630007
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cc(C(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC(C)C)C(=O)CC3)on1
InChIInChI=1S/C23H31N5O3/c1-5-16-12-19(31-26-16)23(30)27-11-7-6-8-18(27)21-24-15(4)17-9-10-20(29)28(13-14(2)3)22(17)25-21/h12,14,18H,5-11,13H2,1-4H3/t18-/m1/s1
InChIKeyACEVPRJCDLFCFP-GOSISDBHSA-N
XLogP3.64
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

8-(cyclopropylmethyl)-4-methyl-2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260662
4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629786
8-(cyclopropylmethyl)-4-methyl-2-[(2R)-1-(3-methylbutanoyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629774
4-methyl-8-(2-methylpropyl)-2-[(2S)-1-[4-(2-oxopyrrolidin-1-yl)butanoyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630520
4-methyl-8-(2-methylpropyl)-2-[(2R)-1-(4-pyridin-2-ylbutanoyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630565
2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630384
8-benzyl-2-[1-(cyclohexanecarbonyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268510
4-methyl-2-[(2S)-1-(3-methylbutanoyl)pyrrolidin-2-yl]-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630357
4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260982
8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95838071
8-(cyclopropylmethyl)-2-[1-(3-methoxybenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260734
4-methyl-8-[(4-methylphenyl)methyl]-2-[(2S)-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629925

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92630007) is 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is CCc1cc(C(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC(C)C)C(=O)CC3)on1.
What is the InChIKey of 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ACEVPRJCDLFCFP-GOSISDBHSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-5-16-12-19(31-26-16)23(30)27-11-7-6-8-18(27)21-24-15(4)17-9-10-20(29)28(13-14(2)3)22(17)25-21/h12,14,18H,5-11,13H2,1-4H3/t18-/m1/s1.
What are the key properties of 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 425.53 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92630007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).