2-[(2S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C25H32N4O3 — CID 95831226

IUPAC2-[(2S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@@H]2CCCN2C(=O)C(C)(C)O)nc2c1CCC(=O)N2CCCc1ccccc1
InChIInChI=1S/C25H32N4O3/c1-17-19-13-14-21(30)29(16-7-11-18-9-5-4-6-10-18)23(19)27-22(26-17)20-12-8-15-28(20)24(31)25(2,3)32/h4-6,9-10,20,32H,7-8,11-16H2,1-3H3/t20-/m0/s1
InChIKeyYADOLBYEYAOWBB-FQEVSTJZSA-N
MW436.56 g/mol
LogP3.13
Rot. Bonds6

About 2-[(2S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[(2S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 95831226) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[(2S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID95831226
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name2-[(2S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@@H]2CCCN2C(=O)C(C)(C)O)nc2c1CCC(=O)N2CCCc1ccccc1
InChIInChI=1S/C25H32N4O3/c1-17-19-13-14-21(30)29(16-7-11-18-9-5-4-6-10-18)23(19)27-22(26-17)20-12-8-15-28(20)24(31)25(2,3)32/h4-6,9-10,20,32H,7-8,11-16H2,1-3H3/t20-/m0/s1
InChIKeyYADOLBYEYAOWBB-FQEVSTJZSA-N
XLogP3.13
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(2S)-1-(3-methylbutanoyl)pyrrolidin-2-yl]-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630357
8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260892
2-[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629265
4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629786
4-methyl-2-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630368
N-[2-[(2R)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 92630420
2-[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618661
2-[(2R)-1-(2-methoxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631416
8-benzyl-4-methyl-2-[(2R)-1-(2-phenylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618762
4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260833
N,N-dimethyl-2-[(3S)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide
CID 92630130
4-methyl-2-[(2S)-1-(3-methylbutanoyl)piperidin-2-yl]-7-(3-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 95831940

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(2S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 95831226) is 2-[(2S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(2S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(2S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc([C@@H]2CCCN2C(=O)C(C)(C)O)nc2c1CCC(=O)N2CCCc1ccccc1.
What is the InChIKey of 2-[(2S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YADOLBYEYAOWBB-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-17-19-13-14-21(30)29(16-7-11-18-9-5-4-6-10-18)23(19)27-22(26-17)20-12-8-15-28(20)24(31)25(2,3)32/h4-6,9-10,20,32H,7-8,11-16H2,1-3H3/t20-/m0/s1.
What are the key properties of 2-[(2S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[(2S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 436.56 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 95831226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).