3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C16H18N4O2 — CID 120660168

IUPAC3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)c(C(=O)N3C[C@H]4CNC[C@H]4C3)cnc2c1
InChIInChI=1S/C16H18N4O2/c1-10-2-3-20-14(4-10)18-7-13(16(20)22)15(21)19-8-11-5-17-6-12(11)9-19/h2-4,7,11-12,17H,5-6,8-9H2,1H3/t11-,12+
InChIKeyUXIFRTCZLJOQAJ-TXEJJXNPSA-N
MW298.35 g/mol
LogP0.29
Rot. Bonds1

About 3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 120660168) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID120660168
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)c(C(=O)N3C[C@H]4CNC[C@H]4C3)cnc2c1
InChIInChI=1S/C16H18N4O2/c1-10-2-3-20-14(4-10)18-7-13(16(20)22)15(21)19-8-11-5-17-6-12(11)9-19/h2-4,7,11-12,17H,5-6,8-9H2,1H3/t11-,12+
InChIKeyUXIFRTCZLJOQAJ-TXEJJXNPSA-N
XLogP0.29
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
CID 119113428
4-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239079
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 2800874
(3aS,6aR)-2-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683779
3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 127316122
8-methyl-4-oxo-N-piperidin-4-yl-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119823486
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-iodo-5-methylphenyl)methanone
CID 120657326
8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 97098200
3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 97007914
3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 97007915
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-methoxy-5-methylphenyl)methanone
CID 66212578
8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119649095

Frequently Asked Questions

What is the IUPAC name of 3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 120660168) is 3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)c(C(=O)N3C[C@H]4CNC[C@H]4C3)cnc2c1.
What is the InChIKey of 3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UXIFRTCZLJOQAJ-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-2-3-20-14(4-10)18-7-13(16(20)22)15(21)19-8-11-5-17-6-12(11)9-19/h2-4,7,11-12,17H,5-6,8-9H2,1H3/t11-,12+.
What are the key properties of 3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 298.35 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 120660168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).