imidazo[1,2-a]pyrimidin-2-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone

C20H25N7O — CID 72940220

IUPACimidazo[1,2-a]pyrimidin-2-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
SMILESCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1cn3cccnc3n1)CC2
InChIInChI=1S/C20H25N7O/c1-2-8-27-10-4-15-17(23-14-22-15)20(27)5-11-25(12-6-20)18(28)16-13-26-9-3-7-21-19(26)24-16/h3,7,9,13-14H,2,4-6,8,10-12H2,1H3,(H,22,23)
InChIKeyLRHVGGYOQXRLKM-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.85
Rot. Bonds3

About imidazo[1,2-a]pyrimidin-2-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone

imidazo[1,2-a]pyrimidin-2-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone (PubChem CID 72940220) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidin-2-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidin-2-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
PubChem CID72940220
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Nameimidazo[1,2-a]pyrimidin-2-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
SMILESCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1cn3cccnc3n1)CC2
InChIInChI=1S/C20H25N7O/c1-2-8-27-10-4-15-17(23-14-22-15)20(27)5-11-25(12-6-20)18(28)16-13-26-9-3-7-21-19(26)24-16/h3,7,9,13-14H,2,4-6,8,10-12H2,1H3,(H,22,23)
InChIKeyLRHVGGYOQXRLKM-UHFFFAOYSA-N
XLogP1.85
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one
CID 72860794
[3-(dimethylamino)phenyl]-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72906423
(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 72838099
(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
(4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72843067
1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72919666
(2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one
CID 97145593
2-(4,5-dimethylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone
CID 72862494
(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72862783
[1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72901157
azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
CID 94146892
1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56915855

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidin-2-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of imidazo[1,2-a]pyrimidin-2-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone (CID 72940220) is imidazo[1,2-a]pyrimidin-2-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for imidazo[1,2-a]pyrimidin-2-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for imidazo[1,2-a]pyrimidin-2-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone is CCCN1CCc2[nH]cnc2C12CCN(C(=O)c1cn3cccnc3n1)CC2.
What is the InChIKey of imidazo[1,2-a]pyrimidin-2-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is LRHVGGYOQXRLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-2-8-27-10-4-15-17(23-14-22-15)20(27)5-11-25(12-6-20)18(28)16-13-26-9-3-7-21-19(26)24-16/h3,7,9,13-14H,2,4-6,8,10-12H2,1H3,(H,22,23).
What are the key properties of imidazo[1,2-a]pyrimidin-2-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
imidazo[1,2-a]pyrimidin-2-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 379.47 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidin-2-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 72940220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).