tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;N-[(4-tert-butylphenyl)methyl]-N-[2-(3H-inden-1-yl)ethyl]butanamide;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 4-[2-(3-chlorobenzoyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]benzoate;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

C123H124Cl2N8O12 — CID 157212646

About tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;N-[(4-tert-butylphenyl)methyl]-N-[2-(3H-inden-1-yl)ethyl]butanamide;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 4-[2-(3-chlorobenzoyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]benzoate;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;N-[(4-tert-butylphenyl)methyl]-N-[2-(3H-inden-1-yl)ethyl]butanamide;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 4-[2-(3-chlorobenzoyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]benzoate;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 157212646) has the molecular formula C123H124Cl2N8O12 and a molecular weight of 1977.29 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;N-[(4-tert-butylphenyl)methyl]-N-[2-(3H-inden-1-yl)ethyl]butanamide;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 4-[2-(3-chlorobenzoyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]benzoate;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;N-[(4-tert-butylphenyl)methyl]-N-[2-(3H-inden-1-yl)ethyl]butanamide;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 4-[2-(3-chlorobenzoyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]benzoate;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
• PubChem CID: 157212646
• Molecular Formula: C123H124Cl2N8O12
• Molecular Weight: 1977.29 g/mol
• Exact Mass: 1974.87
• IUPAC Name: tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;N-[(4-tert-butylphenyl)methyl]-N-[2-(3H-inden-1-yl)ethyl]butanamide;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 4-[2-(3-chlorobenzoyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]benzoate;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
• SMILES: CC(C)(C)OC(=O)NCC(=O)N1CCC2=C(Cc3ccccc32)C1c1ccncc1.CCCC(=O)N(CCC1=CCc2ccccc21)Cc1ccc(C(C)(C)C)cc1.COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccc(OC)cc2)N1.COC(=O)c1ccc(C2C3=C(CCN2C(=O)c2cccc(Cl)c2)c2ccccc2C3)cc1.COc1ccccc1C1C2=C(CCN1C(=O)c1cccc(Cl)c1)c1ccccc1C2
• InChI: InChI=1S/C27H22ClNO3.C26H22ClNO2.C26H33NO.C24H27N3O3.C20H20N2O3/c1-32-27(31)18-11-9-17(10-12-18)25-24-16-19-5-2-3-8-22(19)23(24)13-14-29(25)26(30)20-6-4-7-21(28)15-20;1-30-24-12-5-4-11-22(24)25-23-16-17-7-2-3-10-20(17)21(23)13-14-28(25)26(29)18-8-6-9-19(27)15-18;1-5-8-25(28)27(19-20-11-15-23(16-12-20)26(2,3)4)18-17-22-14-13-21-9-6-7-10-24(21)22;1-24(2,3)30-23(29)26-15-21(28)27-13-10-19-18-7-5-4-6-17(18)14-20(19)22(27)16-8-11-25-12-9-16;1-24-13-9-7-12(8-10-13)18-19-15(11-17(22-18)20(23)25-2)14-5-3-4-6-16(14)21-19/h2-12,15,25H,13-14,16H2,1H3;2-12,15,25H,13-14,16H2,1H3;6-7,9-12,14-16H,5,8,13,17-19H2,1-4H3;4-9,11-12,22H,10,13-15H2,1-3H3,(H,26,29);3-10,17-18,21-22H,11H2,1-2H3
• InChIKey: ASBDLSMTOMWQJW-UHFFFAOYSA-N
• XLogP: 24.65
• TPSA: 231.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1977.29
LogP ≤ 5	24.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;N-[(4-tert-butylphenyl)methyl]-N-[2-(3H-inden-1-yl)ethyl]butanamide;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 4-[2-(3-chlorobenzoyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]benzoate;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate?

The IUPAC name of tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;N-[(4-tert-butylphenyl)methyl]-N-[2-(3H-inden-1-yl)ethyl]butanamide;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 4-[2-(3-chlorobenzoyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]benzoate;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate (CID 157212646) is tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;N-[(4-tert-butylphenyl)methyl]-N-[2-(3H-inden-1-yl)ethyl]butanamide;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 4-[2-(3-chlorobenzoyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]benzoate;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate.

What is the SMILES notation for tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;N-[(4-tert-butylphenyl)methyl]-N-[2-(3H-inden-1-yl)ethyl]butanamide;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 4-[2-(3-chlorobenzoyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]benzoate;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate?

The canonical SMILES for tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;N-[(4-tert-butylphenyl)methyl]-N-[2-(3H-inden-1-yl)ethyl]butanamide;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 4-[2-(3-chlorobenzoyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]benzoate;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is CC(C)(C)OC(=O)NCC(=O)N1CCC2=C(Cc3ccccc32)C1c1ccncc1.CCCC(=O)N(CCC1=CCc2ccccc21)Cc1ccc(C(C)(C)C)cc1.COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccc(OC)cc2)N1.COC(=O)c1ccc(C2C3=C(CCN2C(=O)c2cccc(Cl)c2)c2ccccc2C3)cc1.COc1ccccc1C1C2=C(CCN1C(=O)c1cccc(Cl)c1)c1ccccc1C2.

What is the InChIKey of tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;N-[(4-tert-butylphenyl)methyl]-N-[2-(3H-inden-1-yl)ethyl]butanamide;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 4-[2-(3-chlorobenzoyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]benzoate;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate?

The InChIKey is ASBDLSMTOMWQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClNO3.C26H22ClNO2.C26H33NO.C24H27N3O3.C20H20N2O3/c1-32-27(31)18-11-9-17(10-12-18)25-24-16-19-5-2-3-8-22(19)23(24)13-14-29(25)26(30)20-6-4-7-21(28)15-20;1-30-24-12-5-4-11-22(24)25-23-16-17-7-2-3-10-20(17)21(23)13-14-28(25)26(29)18-8-6-9-19(27)15-18;1-5-8-25(28)27(19-20-11-15-23(16-12-20)26(2,3)4)18-17-22-14-13-21-9-6-7-10-24(21)22;1-24(2,3)30-23(29)26-15-21(28)27-13-10-19-18-7-5-4-6-17(18)14-20(19)22(27)16-8-11-25-12-9-16;1-24-13-9-7-12(8-10-13)18-19-15(11-17(22-18)20(23)25-2)14-5-3-4-6-16(14)21-19/h2-12,15,25H,13-14,16H2,1H3;2-12,15,25H,13-14,16H2,1H3;6-7,9-12,14-16H,5,8,13,17-19H2,1-4H3;4-9,11-12,22H,10,13-15H2,1-3H3,(H,26,29);3-10,17-18,21-22H,11H2,1-2H3.

What are the key properties of tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;N-[(4-tert-butylphenyl)methyl]-N-[2-(3H-inden-1-yl)ethyl]butanamide;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 4-[2-(3-chlorobenzoyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]benzoate;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate?

tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;N-[(4-tert-butylphenyl)methyl]-N-[2-(3H-inden-1-yl)ethyl]butanamide;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 4-[2-(3-chlorobenzoyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]benzoate;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 1977.29 g/mol, XLogP of 24.65, 19 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-oxo-2-(1-pyridin-4-yl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethyl]carbamate;N-[(4-tert-butylphenyl)methyl]-N-[2-(3H-inden-1-yl)ethyl]butanamide;(3-chlorophenyl)-[1-(2-methoxyphenyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methanone;methyl 4-[2-(3-chlorobenzoyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-1-yl]benzoate;methyl 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 157212646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).