3-[7-[2-(dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile

C22H24N8O2 — CID 54766426

IUPAC3-[7-[2-(dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCN(C)CCn1c(=O)n(C2CCOCC2)c2nc(-c3cnc4ccc(C#N)cn34)ncc21
InChIInChI=1S/C22H24N8O2/c1-27(2)7-8-28-18-13-25-20(17-12-24-19-4-3-15(11-23)14-29(17)19)26-21(18)30(22(28)31)16-5-9-32-10-6-16/h3-4,12-14,16H,5-10H2,1-2H3
InChIKeyUYXZIORNPODPGH-UHFFFAOYSA-N
MW432.49 g/mol
LogP1.69
Rot. Bonds5

About 3-[7-[2-(dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile

3-[7-[2-(dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 54766426) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 3-[7-[2-(dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[7-[2-(dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID54766426
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name3-[7-[2-(dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCN(C)CCn1c(=O)n(C2CCOCC2)c2nc(-c3cnc4ccc(C#N)cn34)ncc21
InChIInChI=1S/C22H24N8O2/c1-27(2)7-8-28-18-13-25-20(17-12-24-19-4-3-15(11-23)14-29(17)19)26-21(18)30(22(28)31)16-5-9-32-10-6-16/h3-4,12-14,16H,5-10H2,1-2H3
InChIKeyUYXZIORNPODPGH-UHFFFAOYSA-N
XLogP1.69
TPSA106.27 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[7-[2-(dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile with MolForge

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Related Compounds

Azd-7648
CID 135151360
3-[7-(2-Hydroxyethyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766427
Piperazine carbamate/urea derivative 4
CID 89487751
7-Methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
CID 155537053
9-(4-Hydroxycyclohexyl)-7-methyl-2-[(7-methylimidazo[1,2-a]pyridin-6-yl)amino]purin-8-one
CID 155555885
7-(4-Pyrimidin-2-ylpiperazin-1-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 46226952
2-(1H-benzo[d]imidazol-1-yl)-9-(tetrahydro-2H-pyran-4-yl)-7H-purin-8(9H)-one
CID 46880119
1-(8-oxo-9-(tetrahydro-2H-pyran-4-yl)-8,9-dihydro-7H-purin-2-yl)-1H-benzo[d]imidazole-6-carbonitrile
CID 46880194
4-[3-[1-(2-Methoxyethyl)pyrrol-3-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380289
3-[8-oxo-9-(tetrahydro-2H-pyran-4-yl)-8,9-dihydro-7H-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766274
3-[7-Methyl-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766423
3-[7-(2-Morpholin-4-ylethyl)-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 54766425

Frequently Asked Questions

What is the IUPAC name of 3-[7-[2-(dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[7-[2-(dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 54766426) is 3-[7-[2-(dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[7-[2-(dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[7-[2-(dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile is CN(C)CCn1c(=O)n(C2CCOCC2)c2nc(-c3cnc4ccc(C#N)cn34)ncc21.
What is the InChIKey of 3-[7-[2-(dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is UYXZIORNPODPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-27(2)7-8-28-18-13-25-20(17-12-24-19-4-3-15(11-23)14-29(17)19)26-21(18)30(22(28)31)16-5-9-32-10-6-16/h3-4,12-14,16H,5-10H2,1-2H3.
What are the key properties of 3-[7-[2-(dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile?
3-[7-[2-(dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 432.49 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[2-(dimethylamino)ethyl]-9-(oxan-4-yl)-8-oxopurin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 54766426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).