N-[2-(cyclohexen-1-yl)-6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(1S,2R,6S,7R)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide

C110H136N16O14 — CID 158848494

About N-[2-(cyclohexen-1-yl)-6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(1S,2R,6S,7R)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide

N-[2-(cyclohexen-1-yl)-6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(1S,2R,6S,7R)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide (PubChem CID 158848494) has the molecular formula C110H136N16O14 and a molecular weight of 1906.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(1S,2R,6S,7R)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclohexen-1-yl)-6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(1S,2R,6S,7R)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide
• PubChem CID: 158848494
• Molecular Formula: C110H136N16O14
• Molecular Weight: 1906.40 g/mol
• Exact Mass: 1905.04
• IUPAC Name: N-[2-(cyclohexen-1-yl)-6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(1S,2R,6S,7R)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide
• SMILES: C#Cc1cnc(C(=O)Nc2ccc(C3C[C@@]4(C)O[C@@](C)(C3)[C@@H]3OC(C)(C)O[C@@H]34)nc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3C[C@@]4(C)O[C@@](C)(C3)[C@H](O)[C@@H]4O)nc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3C[C@@]4(C)O[C@@](C)(C3)[C@H](O)[C@@H]4O)nc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3CC(C)(C)OC(C)(C)C3)nc2C2=CCCCC2)[nH]1
• InChI: InChI=1S/C31H38N4O4.C28H34N4O4.C26H30N4O4.C25H34N4O2/c1-8-20-17-32-26(33-20)27(36)35-22-10-9-21(34-23(22)18-11-13-28(2,3)14-12-18)19-15-30(6)24-25(31(7,16-19)39-30)38-29(4,5)37-24;1-6-18-15-29-24(30-18)25(35)32-20-8-7-19(31-21(20)16-9-11-26(2,3)12-10-16)17-13-27(4)22(33)23(34)28(5,14-17)36-27;1-4-17-14-27-23(28-17)24(33)30-19-11-10-18(29-20(19)15-8-6-5-7-9-15)16-12-25(2)21(31)22(32)26(3,13-16)34-25;1-16-15-26-22(27-16)23(30)29-20-12-11-19(28-21(20)17-9-7-6-8-10-17)18-13-24(2,3)31-25(4,5)14-18/h1,9-11,17,19,24-25H,12-16H2,2-7H3,(H,32,33)(H,35,36);1,7-9,15,17,22-23,33-34H,10-14H2,2-5H3,(H,29,30)(H,32,35);1,8,10-11,14,16,21-22,31-32H,5-7,9,12-13H2,2-3H3,(H,27,28)(H,30,33);9,11-12,15,18H,6-8,10,13-14H2,1-5H3,(H,26,27)(H,29,30)/t19?,24-,25+,30+,31-;17?,22-,23+,27+,28-;16?,21-,22+,25+,26-
• InChIKey: IZDITTHMUYNAAG-PIKPSRLDSA-N
• XLogP: 18.27
• TPSA: 418.98 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1906.40
LogP ≤ 5	18.27
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)-6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(1S,2R,6S,7R)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The IUPAC name of N-[2-(cyclohexen-1-yl)-6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(1S,2R,6S,7R)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide (CID 158848494) is N-[2-(cyclohexen-1-yl)-6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(1S,2R,6S,7R)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide.

What is the SMILES notation for N-[2-(cyclohexen-1-yl)-6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(1S,2R,6S,7R)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The canonical SMILES for N-[2-(cyclohexen-1-yl)-6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(1S,2R,6S,7R)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide is C#Cc1cnc(C(=O)Nc2ccc(C3C[C@@]4(C)O[C@@](C)(C3)[C@@H]3OC(C)(C)O[C@@H]34)nc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3C[C@@]4(C)O[C@@](C)(C3)[C@H](O)[C@@H]4O)nc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3C[C@@]4(C)O[C@@](C)(C3)[C@H](O)[C@@H]4O)nc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3CC(C)(C)OC(C)(C)C3)nc2C2=CCCCC2)[nH]1.

What is the InChIKey of N-[2-(cyclohexen-1-yl)-6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(1S,2R,6S,7R)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide?

The InChIKey is IZDITTHMUYNAAG-PIKPSRLDSA-N. The full InChI is InChI=1S/C31H38N4O4.C28H34N4O4.C26H30N4O4.C25H34N4O2/c1-8-20-17-32-26(33-20)27(36)35-22-10-9-21(34-23(22)18-11-13-28(2,3)14-12-18)19-15-30(6)24-25(31(7,16-19)39-30)38-29(4,5)37-24;1-6-18-15-29-24(30-18)25(35)32-20-8-7-19(31-21(20)16-9-11-26(2,3)12-10-16)17-13-27(4)22(33)23(34)28(5,14-17)36-27;1-4-17-14-27-23(28-17)24(33)30-19-11-10-18(29-20(19)15-8-6-5-7-9-15)16-12-25(2)21(31)22(32)26(3,13-16)34-25;1-16-15-26-22(27-16)23(30)29-20-12-11-19(28-21(20)17-9-7-6-8-10-17)18-13-24(2,3)31-25(4,5)14-18/h1,9-11,17,19,24-25H,12-16H2,2-7H3,(H,32,33)(H,35,36);1,7-9,15,17,22-23,33-34H,10-14H2,2-5H3,(H,29,30)(H,32,35);1,8,10-11,14,16,21-22,31-32H,5-7,9,12-13H2,2-3H3,(H,27,28)(H,30,33);9,11-12,15,18H,6-8,10,13-14H2,1-5H3,(H,26,27)(H,29,30)/t19?,24-,25+,30+,31-;17?,22-,23+,27+,28-;16?,21-,22+,25+,26-;.

What are the key properties of N-[2-(cyclohexen-1-yl)-6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(1S,2R,6S,7R)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide?

N-[2-(cyclohexen-1-yl)-6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(1S,2R,6S,7R)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide has a molecular weight of 1906.40 g/mol, XLogP of 18.27, 16 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexen-1-yl)-6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide;N-[6-[(1R,5S,6R,7S)-6,7-dihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[(1S,2R,6S,7R)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 158848494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).