3-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C23H21N5O2S — CID 92553570

IUPAC3-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)n1
InChIInChI=1S/C23H21N5O2S/c1-15-12-18(19-7-5-11-31-19)26-21(25-15)16-6-4-9-27(14-16)22(29)17-13-24-20-8-2-3-10-28(20)23(17)30/h2-3,5,7-8,10-13,16H,4,6,9,14H2,1H3/t16-/m0/s1
InChIKeyPYPIREIUNPMAEZ-INIZCTEOSA-N
MW431.52 g/mol
LogP3.54
Rot. Bonds3

About 3-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 92553570) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 3-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID92553570
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC Name3-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)n1
InChIInChI=1S/C23H21N5O2S/c1-15-12-18(19-7-5-11-31-19)26-21(25-15)16-6-4-9-27(14-16)22(29)17-13-24-20-8-2-3-10-28(20)23(17)30/h2-3,5,7-8,10-13,16H,4,6,9,14H2,1H3/t16-/m0/s1
InChIKeyPYPIREIUNPMAEZ-INIZCTEOSA-N
XLogP3.54
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 118763983
(4-aminophenyl)-[3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 110250118
(2-methylpyrazol-3-yl)-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 92553558
3H-benzimidazol-5-yl-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 95805225
(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42934165
3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 47736806
1-[3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 110238956
(2R)-1-[(3R)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 92553492
(2S)-1-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 92553493
(3-methyl-4-pyridinyl)-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92563351
3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 56702441
2-[(3S)-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136735485

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 92553570) is 3-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)n1.
What is the InChIKey of 3-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PYPIREIUNPMAEZ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-15-12-18(19-7-5-11-31-19)26-21(25-15)16-6-4-9-27(14-16)22(29)17-13-24-20-8-2-3-10-28(20)23(17)30/h2-3,5,7-8,10-13,16H,4,6,9,14H2,1H3/t16-/m0/s1.
What are the key properties of 3-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 431.52 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 92553570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).