5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide

C27H31N5O3 — CID 172628599

IUPAC5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2nc(C3=CC4(C)CCC(CO)(C3)O4)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C27H31N5O3/c1-25(2)8-6-17(7-9-25)22-21(32-24(34)23-29-15-19(14-28)30-23)5-4-20(31-22)18-12-26(3)10-11-27(13-18,16-33)35-26/h4-6,12,15,33H,7-11,13,16H2,1-3H3,(H,29,30)(H,32,34)
InChIKeyAUMOLCCKGDPZJW-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.61
Rot. Bonds5

About 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide (PubChem CID 172628599) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide
PubChem CID172628599
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2nc(C3=CC4(C)CCC(CO)(C3)O4)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C27H31N5O3/c1-25(2)8-6-17(7-9-25)22-21(32-24(34)23-29-15-19(14-28)30-23)5-4-20(31-22)18-12-26(3)10-11-27(13-18,16-33)35-26/h4-6,12,15,33H,7-11,13,16H2,1-3H3,(H,29,30)(H,32,34)
InChIKeyAUMOLCCKGDPZJW-UHFFFAOYSA-N
XLogP4.61
TPSA123.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-cyano-1H-imidazole-2-carboxamide
CID 172628611
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1,5-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
CID 172628527
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
CID 59457539
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(1-hydroxycyclopentyl)-3-pyridinyl]-1H-imidazole-2-carboxamide
CID 58993714
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
CID 24759398
5-cyano-N-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide
CID 11714169
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(2S)-4-hydroxy-4-methyl-1-sulfanylpentan-2-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide;propan-1-ol
CID 144717150
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[3-hydroxy-1,5-bis(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]phenyl]-1H-imidazole-2-carboxamide
CID 68966823
N-[6-[(2R,6S)-2,6-bis(hydroxymethyl)-2,6-dimethyloxan-4-yl]-2-(cyclohexen-1-yl)-3-pyridinyl]-5-cyano-1H-imidazole-2-carboxamide
CID 130349137
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,4R)-2-(hydroxymethyl)-2,6,6-trimethyloxan-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 134172156
ethyl 2-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(4,4-dimethylcyclohexen-1-yl)phenyl]-2-hydroxyacetate
CID 58994583
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(5R)-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-1H-imidazole-2-carboxamide
CID 144570247

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide (CID 172628599) is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide is CC1(C)CC=C(c2nc(C3=CC4(C)CCC(CO)(C3)O4)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.
What is the InChIKey of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide?
The InChIKey is AUMOLCCKGDPZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-25(2)8-6-17(7-9-25)22-21(32-24(34)23-29-15-19(14-28)30-23)5-4-20(31-22)18-12-26(3)10-11-27(13-18,16-33)35-26/h4-6,12,15,33H,7-11,13,16H2,1-3H3,(H,29,30)(H,32,34).
What are the key properties of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 4.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[5-(hydroxymethyl)-1-methyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 172628599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).