5-(4-aminocyclohexen-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylcyclohexen-1-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[4-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclohexen-1-yl]imidazo[4,5-b]pyridin-2-one;1-methylimidazole-2-carboxylic acid

C95H136BClN18O11 — CID 158418573

About 5-(4-aminocyclohexen-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylcyclohexen-1-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[4-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclohexen-1-yl]imidazo[4,5-b]pyridin-2-one;1-methylimidazole-2-carboxylic acid

5-(4-aminocyclohexen-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylcyclohexen-1-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[4-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclohexen-1-yl]imidazo[4,5-b]pyridin-2-one;1-methylimidazole-2-carboxylic acid (PubChem CID 158418573) has the molecular formula C95H136BClN18O11 and a molecular weight of 1752.51 g/mol. Its IUPAC name is 5-(4-aminocyclohexen-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylcyclohexen-1-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[4-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclohexen-1-yl]imidazo[4,5-b]pyridin-2-one;1-methylimidazole-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-(4-aminocyclohexen-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylcyclohexen-1-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[4-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclohexen-1-yl]imidazo[4,5-b]pyridin-2-one;1-methylimidazole-2-carboxylic acid
• PubChem CID: 158418573
• Molecular Formula: C95H136BClN18O11
• Molecular Weight: 1752.51 g/mol
• Exact Mass: 1751.04
• IUPAC Name: 5-(4-aminocyclohexen-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylcyclohexen-1-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[4-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclohexen-1-yl]imidazo[4,5-b]pyridin-2-one;1-methylimidazole-2-carboxylic acid
• SMILES: CC(C)(C)OC(=O)NC1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC1CC=C(c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)CC1.Cn1c(=O)n(CC(C)(C)C)c2ccc(C3=CCC(N)CC3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(Cl)nc21.Cn1ccnc1C(=O)CC1CC=C(c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)CC1.Cn1ccnc1C(=O)O
• InChI: InChI=1S/C24H31N5O2.C19H27N3O.C18H26N4O.C17H30BNO4.C12H16ClN3O.C5H6N2O2/c1-24(2,3)15-29-19-11-10-18(26-21(19)28(5)23(29)31)17-8-6-16(7-9-17)14-20(30)22-25-12-13-27(22)4;1-13-6-8-14(9-7-13)15-10-11-16-17(20-15)21(5)18(23)22(16)12-19(2,3)4;1-18(2,3)11-22-15-10-9-14(12-5-7-13(19)8-6-12)20-16(15)21(4)17(22)23;1-15(2,3)21-14(20)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18;1-12(2,3)7-16-8-5-6-9(13)14-10(8)15(4)11(16)17;1-7-3-2-6-4(7)5(8)9/h8,10-13,16H,6-7,9,14-15H2,1-5H3;8,10-11,13H,6-7,9,12H2,1-5H3;5,9-10,13H,6-8,11,19H2,1-4H3;8,13H,9-11H2,1-7H3,(H,19,20);5-6H,7H2,1-4H3;2-3H,1H3,(H,8,9)
• InChIKey: HAFAQBBRGLAYRV-UHFFFAOYSA-N
• XLogP: 16.81
• TPSA: 332.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1752.51
LogP ≤ 5	16.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminocyclohexen-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylcyclohexen-1-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[4-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclohexen-1-yl]imidazo[4,5-b]pyridin-2-one;1-methylimidazole-2-carboxylic acid?

The IUPAC name of 5-(4-aminocyclohexen-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylcyclohexen-1-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[4-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclohexen-1-yl]imidazo[4,5-b]pyridin-2-one;1-methylimidazole-2-carboxylic acid (CID 158418573) is 5-(4-aminocyclohexen-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylcyclohexen-1-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[4-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclohexen-1-yl]imidazo[4,5-b]pyridin-2-one;1-methylimidazole-2-carboxylic acid.

What is the SMILES notation for 5-(4-aminocyclohexen-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylcyclohexen-1-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[4-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclohexen-1-yl]imidazo[4,5-b]pyridin-2-one;1-methylimidazole-2-carboxylic acid?

The canonical SMILES for 5-(4-aminocyclohexen-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylcyclohexen-1-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[4-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclohexen-1-yl]imidazo[4,5-b]pyridin-2-one;1-methylimidazole-2-carboxylic acid is CC(C)(C)OC(=O)NC1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC1CC=C(c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)CC1.Cn1c(=O)n(CC(C)(C)C)c2ccc(C3=CCC(N)CC3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(Cl)nc21.Cn1ccnc1C(=O)CC1CC=C(c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)CC1.Cn1ccnc1C(=O)O.

What is the InChIKey of 5-(4-aminocyclohexen-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylcyclohexen-1-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[4-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclohexen-1-yl]imidazo[4,5-b]pyridin-2-one;1-methylimidazole-2-carboxylic acid?

The InChIKey is HAFAQBBRGLAYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2.C19H27N3O.C18H26N4O.C17H30BNO4.C12H16ClN3O.C5H6N2O2/c1-24(2,3)15-29-19-11-10-18(26-21(19)28(5)23(29)31)17-8-6-16(7-9-17)14-20(30)22-25-12-13-27(22)4;1-13-6-8-14(9-7-13)15-10-11-16-17(20-15)21(5)18(23)22(16)12-19(2,3)4;1-18(2,3)11-22-15-10-9-14(12-5-7-13(19)8-6-12)20-16(15)21(4)17(22)23;1-15(2,3)21-14(20)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18;1-12(2,3)7-16-8-5-6-9(13)14-10(8)15(4)11(16)17;1-7-3-2-6-4(7)5(8)9/h8,10-13,16H,6-7,9,14-15H2,1-5H3;8,10-11,13H,6-7,9,12H2,1-5H3;5,9-10,13H,6-8,11,19H2,1-4H3;8,13H,9-11H2,1-7H3,(H,19,20);5-6H,7H2,1-4H3;2-3H,1H3,(H,8,9).

What are the key properties of 5-(4-aminocyclohexen-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylcyclohexen-1-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[4-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclohexen-1-yl]imidazo[4,5-b]pyridin-2-one;1-methylimidazole-2-carboxylic acid?

5-(4-aminocyclohexen-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylcyclohexen-1-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[4-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclohexen-1-yl]imidazo[4,5-b]pyridin-2-one;1-methylimidazole-2-carboxylic acid has a molecular weight of 1752.51 g/mol, XLogP of 16.81, 13 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-aminocyclohexen-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylcyclohexen-1-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[4-[2-(1-methylimidazol-2-yl)-2-oxoethyl]cyclohexen-1-yl]imidazo[4,5-b]pyridin-2-one;1-methylimidazole-2-carboxylic acid is sourced from PubChem (CID 158418573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).