2-bromo-4-propan-2-ylpyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridine;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;ethane

C87H95BrCl3N19O2 — CID 158706361

About 2-bromo-4-propan-2-ylpyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridine;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;ethane

2-bromo-4-propan-2-ylpyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridine;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;ethane (PubChem CID 158706361) has the molecular formula C87H95BrCl3N19O2 and a molecular weight of 1625.11 g/mol. Its IUPAC name is 2-bromo-4-propan-2-ylpyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridine;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;ethane.

Molecular Properties

• Compound Name: 2-bromo-4-propan-2-ylpyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridine;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;ethane
• PubChem CID: 158706361
• Molecular Formula: C87H95BrCl3N19O2
• Molecular Weight: 1625.11 g/mol
• Exact Mass: 1621.62
• IUPAC Name: 2-bromo-4-propan-2-ylpyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridine;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;ethane
• SMILES: CC.CC(C)c1ccnc(Br)c1.CC1CCC(Cn2c(-c3cc(C(C)C)ccn3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.[C-]#[N+]c1cc2nc(-c3cc(C(C)C)ccn3)n(CC3CCC(C)CC3)c2c(-c2cncc(Cl)c2)n1.[C-]#[N+]c1cc2ncn(CC3CCC(C)CC3)c2c(-c2cncc(Cl)c2)n1
• InChI: InChI=1S/C29H30ClN7O2.C28H29ClN6.C20H20ClN5.C8H10BrN.C2H6/c1-16(2)19-8-9-32-24(11-19)28-34-22-12-23(27-35-29(38)39-36-27)33-25(20-10-21(30)14-31-13-20)26(22)37(28)15-18-6-4-17(3)5-7-18;1-17(2)20-9-10-32-24(12-20)28-33-23-13-25(30-4)34-26(21-11-22(29)15-31-14-21)27(23)35(28)16-19-7-5-18(3)6-8-19;1-13-3-5-14(6-4-13)11-26-12-24-17-8-18(22-2)25-19(20(17)26)15-7-16(21)10-23-9-15;1-6(2)7-3-4-10-8(9)5-7;1-2/h8-14,16-18H,4-7,15H2,1-3H3,(H,35,36,38);9-15,17-19H,5-8,16H2,1-3H3;7-10,12-14H,3-6,11H2,1H3;3-6H,1-2H3;1-2H3
• InChIKey: IIDVXHRFCURIQL-UHFFFAOYSA-N
• XLogP: 23.73
• TPSA: 237.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1625.11
LogP ≤ 5	23.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-propan-2-ylpyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridine;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;ethane?

The IUPAC name of 2-bromo-4-propan-2-ylpyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridine;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;ethane (CID 158706361) is 2-bromo-4-propan-2-ylpyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridine;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;ethane.

What is the SMILES notation for 2-bromo-4-propan-2-ylpyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridine;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;ethane?

The canonical SMILES for 2-bromo-4-propan-2-ylpyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridine;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;ethane is CC.CC(C)c1ccnc(Br)c1.CC1CCC(Cn2c(-c3cc(C(C)C)ccn3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.[C-]#[N+]c1cc2nc(-c3cc(C(C)C)ccn3)n(CC3CCC(C)CC3)c2c(-c2cncc(Cl)c2)n1.[C-]#[N+]c1cc2ncn(CC3CCC(C)CC3)c2c(-c2cncc(Cl)c2)n1.

What is the InChIKey of 2-bromo-4-propan-2-ylpyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridine;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;ethane?

The InChIKey is IIDVXHRFCURIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN7O2.C28H29ClN6.C20H20ClN5.C8H10BrN.C2H6/c1-16(2)19-8-9-32-24(11-19)28-34-22-12-23(27-35-29(38)39-36-27)33-25(20-10-21(30)14-31-13-20)26(22)37(28)15-18-6-4-17(3)5-7-18;1-17(2)20-9-10-32-24(12-20)28-33-23-13-25(30-4)34-26(21-11-22(29)15-31-14-21)27(23)35(28)16-19-7-5-18(3)6-8-19;1-13-3-5-14(6-4-13)11-26-12-24-17-8-18(22-2)25-19(20(17)26)15-7-16(21)10-23-9-15;1-6(2)7-3-4-10-8(9)5-7;1-2/h8-14,16-18H,4-7,15H2,1-3H3,(H,35,36,38);9-15,17-19H,5-8,16H2,1-3H3;7-10,12-14H,3-6,11H2,1H3;3-6H,1-2H3;1-2H3.

What are the key properties of 2-bromo-4-propan-2-ylpyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridine;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;ethane?

2-bromo-4-propan-2-ylpyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridine;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;ethane has a molecular weight of 1625.11 g/mol, XLogP of 23.73, 15 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4-propan-2-ylpyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine;4-(5-chloro-3-pyridinyl)-6-isocyano-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridine;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;ethane is sourced from PubChem (CID 158706361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).