3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C18H20N6O2 — CID 127316122

IUPAC3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)c(C(=O)N3CCN(Cc4ncc[nH]4)CC3)cnc2c1
InChIInChI=1S/C18H20N6O2/c1-13-2-5-24-16(10-13)21-11-14(18(24)26)17(25)23-8-6-22(7-9-23)12-15-19-3-4-20-15/h2-5,10-11H,6-9,12H2,1H3,(H,19,20)
InChIKeyZYFAAPMKQFGKKD-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.68
Rot. Bonds3

About 3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 127316122) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID127316122
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)c(C(=O)N3CCN(Cc4ncc[nH]4)CC3)cnc2c1
InChIInChI=1S/C18H20N6O2/c1-13-2-5-24-16(10-13)21-11-14(18(24)26)17(25)23-8-6-22(7-9-23)12-15-19-3-4-20-15/h2-5,10-11H,6-9,12H2,1H3,(H,19,20)
InChIKeyZYFAAPMKQFGKKD-UHFFFAOYSA-N
XLogP0.68
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

4-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-3-methylbenzoic acid
CID 146143215
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 2800874
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
(3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
CID 119113428
3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 16620986
4-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239079
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
8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119649095
(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
8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 97098200
ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
CID 16614782

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 127316122) is 3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)c(C(=O)N3CCN(Cc4ncc[nH]4)CC3)cnc2c1.
What is the InChIKey of 3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZYFAAPMKQFGKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-13-2-5-24-16(10-13)21-11-14(18(24)26)17(25)23-8-6-22(7-9-23)12-15-19-3-4-20-15/h2-5,10-11H,6-9,12H2,1H3,(H,19,20).
What are the key properties of 3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 352.40 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 127316122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).