tert-butyl N-[[4-(6-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(7-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[(2R)-4-hydroxy-1-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-1-oxobutan-2-yl]carbamate;tert-butyl N-methyl-N-[[4-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]carbamate

C112H160F2N8O13 — CID 162236130

About tert-butyl N-[[4-(6-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(7-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[(2R)-4-hydroxy-1-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-1-oxobutan-2-yl]carbamate;tert-butyl N-methyl-N-[[4-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]carbamate

tert-butyl N-[[4-(6-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(7-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[(2R)-4-hydroxy-1-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-1-oxobutan-2-yl]carbamate;tert-butyl N-methyl-N-[[4-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]carbamate (PubChem CID 162236130) has the molecular formula C112H160F2N8O13 and a molecular weight of 1864.55 g/mol. Its IUPAC name is tert-butyl N-[[4-(6-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(7-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[(2R)-4-hydroxy-1-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-1-oxobutan-2-yl]carbamate;tert-butyl N-methyl-N-[[4-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[4-(6-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(7-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[(2R)-4-hydroxy-1-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-1-oxobutan-2-yl]carbamate;tert-butyl N-methyl-N-[[4-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]carbamate
• PubChem CID: 162236130
• Molecular Formula: C112H160F2N8O13
• Molecular Weight: 1864.55 g/mol
• Exact Mass: 1863.21
• IUPAC Name: tert-butyl N-[[4-(6-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(7-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[(2R)-4-hydroxy-1-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-1-oxobutan-2-yl]carbamate;tert-butyl N-methyl-N-[[4-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]carbamate
• SMILES: CC(C)C1C2=C(CCN1C(=O)C1CCC(CN(C)C(=O)OC(C)(C)C)CC1)c1cc(F)ccc1C2.CC(C)C1C2=C(CCN1C(=O)C1CCC(CN(C)C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1C2.CC(C)C1C2=C(CCN1C(=O)C1CCC(CN(C)C(=O)OC(C)(C)C)CC1)c1ccccc1C2.CC(C)CC1C2=C(CCN1C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c1ccccc1C2
• InChI: InChI=1S/2C29H41FN2O3.C29H42N2O3.C25H36N2O4/c1-18(2)26-25-16-21-15-22(30)11-12-23(21)24(25)13-14-32(26)27(33)20-9-7-19(8-10-20)17-31(6)28(34)35-29(3,4)5;1-18(2)26-25-15-21-11-12-22(30)16-24(21)23(25)13-14-32(26)27(33)20-9-7-19(8-10-20)17-31(6)28(34)35-29(3,4)5;1-19(2)26-25-17-22-9-7-8-10-23(22)24(25)15-16-31(26)27(32)21-13-11-20(12-14-21)18-30(6)28(33)34-29(3,4)5;1-16(2)14-22-20-15-17-8-6-7-9-18(17)19(20)10-12-27(22)23(29)21(11-13-28)26-24(30)31-25(3,4)5/h11-12,15,18-20,26H,7-10,13-14,16-17H2,1-6H3;11-12,16,18-20,26H,7-10,13-15,17H2,1-6H3;7-10,19-21,26H,11-18H2,1-6H3;6-9,16,21-22,28H,10-15H2,1-5H3,(H,26,30)/t;;;21-,22?/m...1/s1
• InChIKey: ZWBUSRWGUVNFHO-DIBIWGCWSA-N
• XLogP: 21.98
• TPSA: 228.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1864.55
LogP ≤ 5	21.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(6-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(7-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[(2R)-4-hydroxy-1-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-1-oxobutan-2-yl]carbamate;tert-butyl N-methyl-N-[[4-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]carbamate?

The IUPAC name of tert-butyl N-[[4-(6-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(7-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[(2R)-4-hydroxy-1-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-1-oxobutan-2-yl]carbamate;tert-butyl N-methyl-N-[[4-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]carbamate (CID 162236130) is tert-butyl N-[[4-(6-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(7-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[(2R)-4-hydroxy-1-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-1-oxobutan-2-yl]carbamate;tert-butyl N-methyl-N-[[4-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]carbamate.

What is the SMILES notation for tert-butyl N-[[4-(6-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(7-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[(2R)-4-hydroxy-1-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-1-oxobutan-2-yl]carbamate;tert-butyl N-methyl-N-[[4-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]carbamate?

The canonical SMILES for tert-butyl N-[[4-(6-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(7-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[(2R)-4-hydroxy-1-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-1-oxobutan-2-yl]carbamate;tert-butyl N-methyl-N-[[4-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]carbamate is CC(C)C1C2=C(CCN1C(=O)C1CCC(CN(C)C(=O)OC(C)(C)C)CC1)c1cc(F)ccc1C2.CC(C)C1C2=C(CCN1C(=O)C1CCC(CN(C)C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1C2.CC(C)C1C2=C(CCN1C(=O)C1CCC(CN(C)C(=O)OC(C)(C)C)CC1)c1ccccc1C2.CC(C)CC1C2=C(CCN1C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c1ccccc1C2.

What is the InChIKey of tert-butyl N-[[4-(6-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(7-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[(2R)-4-hydroxy-1-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-1-oxobutan-2-yl]carbamate;tert-butyl N-methyl-N-[[4-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]carbamate?

The InChIKey is ZWBUSRWGUVNFHO-DIBIWGCWSA-N. The full InChI is InChI=1S/2C29H41FN2O3.C29H42N2O3.C25H36N2O4/c1-18(2)26-25-16-21-15-22(30)11-12-23(21)24(25)13-14-32(26)27(33)20-9-7-19(8-10-20)17-31(6)28(34)35-29(3,4)5;1-18(2)26-25-15-21-11-12-22(30)16-24(21)23(25)13-14-32(26)27(33)20-9-7-19(8-10-20)17-31(6)28(34)35-29(3,4)5;1-19(2)26-25-17-22-9-7-8-10-23(22)24(25)15-16-31(26)27(32)21-13-11-20(12-14-21)18-30(6)28(33)34-29(3,4)5;1-16(2)14-22-20-15-17-8-6-7-9-18(17)19(20)10-12-27(22)23(29)21(11-13-28)26-24(30)31-25(3,4)5/h11-12,15,18-20,26H,7-10,13-14,16-17H2,1-6H3;11-12,16,18-20,26H,7-10,13-15,17H2,1-6H3;7-10,19-21,26H,11-18H2,1-6H3;6-9,16,21-22,28H,10-15H2,1-5H3,(H,26,30)/t;;;21-,22?/m...1/s1.

What are the key properties of tert-butyl N-[[4-(6-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(7-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[(2R)-4-hydroxy-1-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-1-oxobutan-2-yl]carbamate;tert-butyl N-methyl-N-[[4-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]carbamate?

tert-butyl N-[[4-(6-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(7-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[(2R)-4-hydroxy-1-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-1-oxobutan-2-yl]carbamate;tert-butyl N-methyl-N-[[4-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]carbamate has a molecular weight of 1864.55 g/mol, XLogP of 21.98, 18 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[4-(6-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[[4-(7-fluoro-1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]-N-methylcarbamate;tert-butyl N-[(2R)-4-hydroxy-1-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-1-oxobutan-2-yl]carbamate;tert-butyl N-methyl-N-[[4-(1-propan-2-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 162236130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).