6-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C18H20N4O2 — CID 136988396

IUPAC6-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C1CC(CN2CCc3nc[nH]c(=O)c3C2)CN1c1ccccc1
InChIInChI=1S/C18H20N4O2/c23-17-8-13(10-22(17)14-4-2-1-3-5-14)9-21-7-6-16-15(11-21)18(24)20-12-19-16/h1-5,12-13H,6-11H2,(H,19,20,24)
InChIKeyRVUMZFLMUMGZCP-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.18
Rot. Bonds3

About 6-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136988396) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136988396
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name6-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C1CC(CN2CCc3nc[nH]c(=O)c3C2)CN1c1ccccc1
InChIInChI=1S/C18H20N4O2/c23-17-8-13(10-22(17)14-4-2-1-3-5-14)9-21-7-6-16-15(11-21)18(24)20-12-19-16/h1-5,12-13H,6-11H2,(H,19,20,24)
InChIKeyRVUMZFLMUMGZCP-UHFFFAOYSA-N
XLogP1.18
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
(4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one
CID 125173786
4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one
CID 118779442
4-[(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]-1-phenylpyrrolidin-2-one
CID 134701482
(4S)-4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 125165477
2-[4-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 125171216
(4S)-1-phenyl-4-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]pyrrolidin-2-one
CID 125156467
6-(3-iodophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 155340679
1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91784595
4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 118786117
(4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 125156440

Frequently Asked Questions

What is the IUPAC name of 6-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136988396) is 6-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C1CC(CN2CCc3nc[nH]c(=O)c3C2)CN1c1ccccc1.
What is the InChIKey of 6-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is RVUMZFLMUMGZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17-8-13(10-22(17)14-4-2-1-3-5-14)9-21-7-6-16-15(11-21)18(24)20-12-19-16/h1-5,12-13H,6-11H2,(H,19,20,24).
What are the key properties of 6-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 324.38 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136988396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).