4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)cyclohexane-1-carbonitrile;1-[3-(5,6,7,8-tetrahydroindolizin-8-yl)pyrrolidin-1-yl]ethanone

C28H39N5O — CID 157138238

IUPAC4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)cyclohexane-1-carbonitrile;1-[3-(5,6,7,8-tetrahydroindolizin-8-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C2CCCn3cccc32)C1.N#CC1CCC(C2CCCc3cncn32)CC1
InChIInChI=1S/C14H19N3.C14H20N2O/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;1-11(17)16-9-6-12(10-16)13-4-2-7-15-8-3-5-14(13)15/h9-12,14H,1-7H2;3,5,8,12-13H,2,4,6-7,9-10H2,1H3
InChIKeyAJWNAESHVDNYBO-UHFFFAOYSA-N
MW461.65 g/mol
LogP5.32
Rot. Bonds2

About 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)cyclohexane-1-carbonitrile;1-[3-(5,6,7,8-tetrahydroindolizin-8-yl)pyrrolidin-1-yl]ethanone

4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)cyclohexane-1-carbonitrile;1-[3-(5,6,7,8-tetrahydroindolizin-8-yl)pyrrolidin-1-yl]ethanone (PubChem CID 157138238) has the molecular formula C28H39N5O and a molecular weight of 461.65 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)cyclohexane-1-carbonitrile;1-[3-(5,6,7,8-tetrahydroindolizin-8-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)cyclohexane-1-carbonitrile;1-[3-(5,6,7,8-tetrahydroindolizin-8-yl)pyrrolidin-1-yl]ethanone
PubChem CID157138238
Molecular FormulaC28H39N5O
Molecular Weight461.65 g/mol
Exact Mass461.32
IUPAC Name4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)cyclohexane-1-carbonitrile;1-[3-(5,6,7,8-tetrahydroindolizin-8-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C2CCCn3cccc32)C1.N#CC1CCC(C2CCCc3cncn32)CC1
InChIInChI=1S/C14H19N3.C14H20N2O/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;1-11(17)16-9-6-12(10-16)13-4-2-7-15-8-3-5-14(13)15/h9-12,14H,1-7H2;3,5,8,12-13H,2,4,6-7,9-10H2,1H3
InChIKeyAJWNAESHVDNYBO-UHFFFAOYSA-N
XLogP5.32
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.65
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)cyclohexane-1-carbonitrile;1-[3-(5,6,7,8-tetrahydroindolizin-8-yl)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

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1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethanone
CID 126758675
1-[(3R,4R)-3-hydroxy-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]ethanone
CID 129296462
1-(2-acetylbenzoyl)piperidine-4-carbonitrile
CID 91781325
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675
acetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole
CID 145129274
1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-4-carbonitrile
CID 49061217

Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)cyclohexane-1-carbonitrile;1-[3-(5,6,7,8-tetrahydroindolizin-8-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)cyclohexane-1-carbonitrile;1-[3-(5,6,7,8-tetrahydroindolizin-8-yl)pyrrolidin-1-yl]ethanone (CID 157138238) is 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)cyclohexane-1-carbonitrile;1-[3-(5,6,7,8-tetrahydroindolizin-8-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)cyclohexane-1-carbonitrile;1-[3-(5,6,7,8-tetrahydroindolizin-8-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)cyclohexane-1-carbonitrile;1-[3-(5,6,7,8-tetrahydroindolizin-8-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(C2CCCn3cccc32)C1.N#CC1CCC(C2CCCc3cncn32)CC1.
What is the InChIKey of 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)cyclohexane-1-carbonitrile;1-[3-(5,6,7,8-tetrahydroindolizin-8-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is AJWNAESHVDNYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.C14H20N2O/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;1-11(17)16-9-6-12(10-16)13-4-2-7-15-8-3-5-14(13)15/h9-12,14H,1-7H2;3,5,8,12-13H,2,4,6-7,9-10H2,1H3.
What are the key properties of 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)cyclohexane-1-carbonitrile;1-[3-(5,6,7,8-tetrahydroindolizin-8-yl)pyrrolidin-1-yl]ethanone?
4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)cyclohexane-1-carbonitrile;1-[3-(5,6,7,8-tetrahydroindolizin-8-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 461.65 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)cyclohexane-1-carbonitrile;1-[3-(5,6,7,8-tetrahydroindolizin-8-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 157138238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).