5-[3-(2-cyanocyclohexyl)-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile

C18H27N7O — CID 142546860

IUPAC5-[3-(2-cyanocyclohexyl)-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile
SMILESN#CC1CCCCC1N1CNC2CCN(C3CNNC(=O)C3C#N)CC21
InChIInChI=1S/C18H27N7O/c19-7-12-3-1-2-4-15(12)25-11-21-14-5-6-24(10-17(14)25)16-9-22-23-18(26)13(16)8-20/h12-17,21-22H,1-6,9-11H2,(H,23,26)
InChIKeyZRFOLHDOFQMVLD-UHFFFAOYSA-N
MW357.46 g/mol
LogP-0.48
Rot. Bonds2

About 5-[3-(2-cyanocyclohexyl)-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile

5-[3-(2-cyanocyclohexyl)-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile (PubChem CID 142546860) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 5-[3-(2-cyanocyclohexyl)-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile.

Molecular Properties

Compound Name5-[3-(2-cyanocyclohexyl)-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile
PubChem CID142546860
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name5-[3-(2-cyanocyclohexyl)-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile
SMILESN#CC1CCCCC1N1CNC2CCN(C3CNNC(=O)C3C#N)CC21
InChIInChI=1S/C18H27N7O/c19-7-12-3-1-2-4-15(12)25-11-21-14-5-6-24(10-17(14)25)16-9-22-23-18(26)13(16)8-20/h12-17,21-22H,1-6,9-11H2,(H,23,26)
InChIKeyZRFOLHDOFQMVLD-UHFFFAOYSA-N
XLogP-0.48
TPSA107.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[3-(2-cyanocyclohexyl)-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile with MolForge

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Related Compounds

5-[3-[[2-(difluoromethyl)cyclohexyl]methyl]-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile
CID 168818586
5-[4-[(2-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-3-oxodiazinane-4-carbonitrile
CID 138483751
4-chloro-5-[1-[2-(trifluoromethyl)piperidin-3-yl]-3,3a,4,6,7,7a-hexahydro-2H-imidazo[4,5-c]pyridin-5-yl]diazinan-3-one
CID 138484226
4-chloro-5-[1-[(2-methylcyclohexyl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-imidazo[4,5-c]pyridin-5-yl]diazinan-3-one
CID 168818606
2-(4-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291712
2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentane-1-carbonitrile
CID 62962720
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile
CID 112625430
2-(2-ethyl-3,5-dioxopiperazin-1-yl)cyclohexane-1-carbonitrile
CID 66070034
2-(8-azaspiro[4.5]decan-8-yl)cyclohexane-1-carbonitrile
CID 55166038
4-chloro-5-[2-[2-(trifluoromethyl)cyclohexyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-5-yl]diazinan-3-one
CID 168818852
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile
CID 79931664
2-(4-cyclopropylpiperazin-1-yl)cycloheptane-1-carbonitrile
CID 61441141

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-cyanocyclohexyl)-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile?
The IUPAC name of 5-[3-(2-cyanocyclohexyl)-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile (CID 142546860) is 5-[3-(2-cyanocyclohexyl)-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile.
What is the SMILES notation for 5-[3-(2-cyanocyclohexyl)-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile?
The canonical SMILES for 5-[3-(2-cyanocyclohexyl)-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile is N#CC1CCCCC1N1CNC2CCN(C3CNNC(=O)C3C#N)CC21.
What is the InChIKey of 5-[3-(2-cyanocyclohexyl)-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile?
The InChIKey is ZRFOLHDOFQMVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c19-7-12-3-1-2-4-15(12)25-11-21-14-5-6-24(10-17(14)25)16-9-22-23-18(26)13(16)8-20/h12-17,21-22H,1-6,9-11H2,(H,23,26).
What are the key properties of 5-[3-(2-cyanocyclohexyl)-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile?
5-[3-(2-cyanocyclohexyl)-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile has a molecular weight of 357.46 g/mol, XLogP of -0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-cyanocyclohexyl)-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile is sourced from PubChem (CID 142546860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).