2-[2-[2-(4,4-dimethylcyclohexen-1-yl)-6-piperidin-4-yl-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile

C24H29N5O — CID 148679892

IUPAC2-[2-[2-(4,4-dimethylcyclohexen-1-yl)-6-piperidin-4-yl-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile
SMILESCC1(C)CC=C(c2nc(C3CCNCC3)ccc2CC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C24H29N5O/c1-24(2)9-5-17(6-10-24)22-18(13-21(30)23-27-15-19(14-25)28-23)3-4-20(29-22)16-7-11-26-12-8-16/h3-5,15-16,26H,6-13H2,1-2H3,(H,27,28)
InChIKeyNRJPSSNKYBYULE-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.16
Rot. Bonds5

About 2-[2-[2-(4,4-dimethylcyclohexen-1-yl)-6-piperidin-4-yl-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile

2-[2-[2-(4,4-dimethylcyclohexen-1-yl)-6-piperidin-4-yl-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile (PubChem CID 148679892) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[2-[2-(4,4-dimethylcyclohexen-1-yl)-6-piperidin-4-yl-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[2-[2-(4,4-dimethylcyclohexen-1-yl)-6-piperidin-4-yl-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile
PubChem CID148679892
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name2-[2-[2-(4,4-dimethylcyclohexen-1-yl)-6-piperidin-4-yl-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile
SMILESCC1(C)CC=C(c2nc(C3CCNCC3)ccc2CC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C24H29N5O/c1-24(2)9-5-17(6-10-24)22-18(13-21(30)23-27-15-19(14-25)28-23)3-4-20(29-22)16-7-11-26-12-8-16/h3-5,15-16,26H,6-13H2,1-2H3,(H,27,28)
InChIKeyNRJPSSNKYBYULE-UHFFFAOYSA-N
XLogP4.16
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-(4,4-dimethylcyclohexen-1-yl)-6-piperidin-4-yl-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile with MolForge

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Related Compounds

Edicotinib
CID 25230468
N-[4-(1H-Imidazol-4-yl)-butyl]-3,3-di-pyridin-2-yl-propionamide
CID 23562989
4-cyano-N-(2-(4,4-dimethylcyclohex-1-enyl)-4-(2,6-dioxopiperidin-4-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24783358
CID 147338912
CID 147338912
(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506638
(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506671
Oxo-arpromidine
CID 25149244
(2S)-N-[(1S)-1-[4-cyano-2-(4-pyridin-3-ylphenyl)-1H-imidazol-5-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 162647783
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11505187
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11627368
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11627369
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide
CID 11642625

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4,4-dimethylcyclohexen-1-yl)-6-piperidin-4-yl-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile?
The IUPAC name of 2-[2-[2-(4,4-dimethylcyclohexen-1-yl)-6-piperidin-4-yl-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile (CID 148679892) is 2-[2-[2-(4,4-dimethylcyclohexen-1-yl)-6-piperidin-4-yl-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile.
What is the SMILES notation for 2-[2-[2-(4,4-dimethylcyclohexen-1-yl)-6-piperidin-4-yl-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile?
The canonical SMILES for 2-[2-[2-(4,4-dimethylcyclohexen-1-yl)-6-piperidin-4-yl-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile is CC1(C)CC=C(c2nc(C3CCNCC3)ccc2CC(=O)c2ncc(C#N)[nH]2)CC1.
What is the InChIKey of 2-[2-[2-(4,4-dimethylcyclohexen-1-yl)-6-piperidin-4-yl-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile?
The InChIKey is NRJPSSNKYBYULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-24(2)9-5-17(6-10-24)22-18(13-21(30)23-27-15-19(14-25)28-23)3-4-20(29-22)16-7-11-26-12-8-16/h3-5,15-16,26H,6-13H2,1-2H3,(H,27,28).
What are the key properties of 2-[2-[2-(4,4-dimethylcyclohexen-1-yl)-6-piperidin-4-yl-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile?
2-[2-[2-(4,4-dimethylcyclohexen-1-yl)-6-piperidin-4-yl-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile has a molecular weight of 403.53 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4,4-dimethylcyclohexen-1-yl)-6-piperidin-4-yl-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile is sourced from PubChem (CID 148679892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).