3-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyrido[1,2-a]pyrimidin-4-one

C20H22N6O2 — CID 72932074

IUPAC3-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCc2[nH]cnc2C12CCN(C(=O)c1cnc3ccccn3c1=O)CC2
InChIInChI=1S/C20H22N6O2/c1-24-9-5-15-17(23-13-22-15)20(24)6-10-25(11-7-20)18(27)14-12-21-16-4-2-3-8-26(16)19(14)28/h2-4,8,12-13H,5-7,9-11H2,1H3,(H,22,23)
InChIKeyZYYMJPIVIQPEAJ-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.04
Rot. Bonds1

About 3-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyrido[1,2-a]pyrimidin-4-one

3-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 72932074) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID72932074
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name3-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCc2[nH]cnc2C12CCN(C(=O)c1cnc3ccccn3c1=O)CC2
InChIInChI=1S/C20H22N6O2/c1-24-9-5-15-17(23-13-22-15)20(24)6-10-25(11-7-20)18(27)14-12-21-16-4-2-3-8-26(16)19(14)28/h2-4,8,12-13H,5-7,9-11H2,1H3,(H,22,23)
InChIKeyZYYMJPIVIQPEAJ-UHFFFAOYSA-N
XLogP1.04
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 72905582
ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
CID 16614782
3-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 46472728
3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 16620986
1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72919666
3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 46471244
3-(3-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119580673
1-[1'-(2-chlorobenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72849676
1-[1'-(1-methylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
CID 72841727
1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72934015
3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 42937784
(1-ethyl-5-methylpyrazol-4-yl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72890289

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 72932074) is 3-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyrido[1,2-a]pyrimidin-4-one is CN1CCc2[nH]cnc2C12CCN(C(=O)c1cnc3ccccn3c1=O)CC2.
What is the InChIKey of 3-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZYYMJPIVIQPEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-24-9-5-15-17(23-13-22-15)20(24)6-10-25(11-7-20)18(27)14-12-21-16-4-2-3-8-26(16)19(14)28/h2-4,8,12-13H,5-7,9-11H2,1H3,(H,22,23).
What are the key properties of 3-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
3-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 378.44 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 72932074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).