pentakis(carbon dioxide);N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(1-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethyl]indole-5-carboxamide

C164H161N21O15S — CID 159239238

About pentakis(carbon dioxide);N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(1-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethyl]indole-5-carboxamide

pentakis(carbon dioxide);N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(1-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethyl]indole-5-carboxamide (PubChem CID 159239238) has the molecular formula C164H161N21O15S and a molecular weight of 2698.29 g/mol. Its IUPAC name is pentakis(carbon dioxide);N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(1-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethyl]indole-5-carboxamide.

Molecular Properties

• Compound Name: pentakis(carbon dioxide);N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(1-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethyl]indole-5-carboxamide
• PubChem CID: 159239238
• Molecular Formula: C164H161N21O15S
• Molecular Weight: 2698.29 g/mol
• Exact Mass: 2696.22
• IUPAC Name: pentakis(carbon dioxide);N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(1-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethyl]indole-5-carboxamide
• SMILES: Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cnc4c(c3)CCN4)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cnn(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3csc(C4CC4)n3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ncn(C(C)C)n3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ncn(C4CC4)n3)cc12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C33H32N4O.C32H34N4O.C32H31N3OS.C31H31N5O.C31H33N5O.5CO2/c1-21-23(3)37(20-24-9-11-26(12-10-24)25-7-5-4-6-8-25)31-14-13-28(18-30(21)31)33(38)36-22(2)29-17-27-15-16-34-32(27)35-19-29;1-21(2)36-20-29(18-33-36)23(4)34-32(37)28-15-16-31-30(17-28)22(3)24(5)35(31)19-25-11-13-27(14-12-25)26-9-7-6-8-10-26;1-20-22(3)35(18-23-9-11-25(12-10-23)24-7-5-4-6-8-24)30-16-15-27(17-28(20)30)31(36)33-21(2)29-19-37-32(34-29)26-13-14-26;1-20-22(3)35(18-23-9-11-25(12-10-23)24-7-5-4-6-8-24)29-16-13-26(17-28(20)29)31(37)33-21(2)30-32-19-36(34-30)27-14-15-27;1-20(2)36-19-32-30(34-36)22(4)33-31(37)27-15-16-29-28(17-27)21(3)23(5)35(29)18-24-11-13-26(14-12-24)25-9-7-6-8-10-25;5*2-1-3/h4-14,17-19,22H,15-16,20H2,1-3H3,(H,34,35)(H,36,38);6-18,20-21,23H,19H2,1-5H3,(H,34,37);4-12,15-17,19,21,26H,13-14,18H2,1-3H3,(H,33,36);4-13,16-17,19,21,27H,14-15,18H2,1-3H3,(H,33,37);6-17,19-20,22H,18H2,1-5H3,(H,33,37);;;;;/t22-;23-;2*21-;22-;;;;;/m00000...../s1
• InChIKey: KTWCERVLQRWMHW-RPDLBNCQSA-N
• XLogP: 31.98
• TPSA: 457.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 34
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2698.29
LogP ≤ 5	31.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of pentakis(carbon dioxide);N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(1-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethyl]indole-5-carboxamide?

The IUPAC name of pentakis(carbon dioxide);N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(1-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethyl]indole-5-carboxamide (CID 159239238) is pentakis(carbon dioxide);N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(1-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethyl]indole-5-carboxamide.

What is the SMILES notation for pentakis(carbon dioxide);N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(1-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethyl]indole-5-carboxamide?

The canonical SMILES for pentakis(carbon dioxide);N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(1-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethyl]indole-5-carboxamide is Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cnc4c(c3)CCN4)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cnn(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3csc(C4CC4)n3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ncn(C(C)C)n3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ncn(C4CC4)n3)cc12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of pentakis(carbon dioxide);N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(1-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethyl]indole-5-carboxamide?

The InChIKey is KTWCERVLQRWMHW-RPDLBNCQSA-N. The full InChI is InChI=1S/C33H32N4O.C32H34N4O.C32H31N3OS.C31H31N5O.C31H33N5O.5CO2/c1-21-23(3)37(20-24-9-11-26(12-10-24)25-7-5-4-6-8-25)31-14-13-28(18-30(21)31)33(38)36-22(2)29-17-27-15-16-34-32(27)35-19-29;1-21(2)36-20-29(18-33-36)23(4)34-32(37)28-15-16-31-30(17-28)22(3)24(5)35(31)19-25-11-13-27(14-12-25)26-9-7-6-8-10-26;1-20-22(3)35(18-23-9-11-25(12-10-23)24-7-5-4-6-8-24)30-16-15-27(17-28(20)30)31(36)33-21(2)29-19-37-32(34-29)26-13-14-26;1-20-22(3)35(18-23-9-11-25(12-10-23)24-7-5-4-6-8-24)29-16-13-26(17-28(20)29)31(37)33-21(2)30-32-19-36(34-30)27-14-15-27;1-20(2)36-19-32-30(34-36)22(4)33-31(37)27-15-16-29-28(17-27)21(3)23(5)35(29)18-24-11-13-26(14-12-24)25-9-7-6-8-10-25;5*2-1-3/h4-14,17-19,22H,15-16,20H2,1-3H3,(H,34,35)(H,36,38);6-18,20-21,23H,19H2,1-5H3,(H,34,37);4-12,15-17,19,21,26H,13-14,18H2,1-3H3,(H,33,36);4-13,16-17,19,21,27H,14-15,18H2,1-3H3,(H,33,37);6-17,19-20,22H,18H2,1-5H3,(H,33,37);;;;;/t22-;23-;2*21-;22-;;;;;/m00000...../s1.

What are the key properties of pentakis(carbon dioxide);N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(1-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethyl]indole-5-carboxamide?

pentakis(carbon dioxide);N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(1-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethyl]indole-5-carboxamide has a molecular weight of 2698.29 g/mol, XLogP of 31.98, 34 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(carbon dioxide);N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(1-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethyl]indole-5-carboxamide is sourced from PubChem (CID 159239238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).