pentakis(carbon dioxide);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-N-[(4S)-1-methyl-3,4-dihydro-2H-1,6-naphthyridin-4-yl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yloxypyrazin-2-yl)ethyl]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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide

C170H166N20O16 — CID 158341562

About pentakis(carbon dioxide);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-N-[(4S)-1-methyl-3,4-dihydro-2H-1,6-naphthyridin-4-yl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yloxypyrazin-2-yl)ethyl]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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide

pentakis(carbon dioxide);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-N-[(4S)-1-methyl-3,4-dihydro-2H-1,6-naphthyridin-4-yl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yloxypyrazin-2-yl)ethyl]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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide (PubChem CID 158341562) has the molecular formula C170H166N20O16 and a molecular weight of 2745.32 g/mol. Its IUPAC name is pentakis(carbon dioxide);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-N-[(4S)-1-methyl-3,4-dihydro-2H-1,6-naphthyridin-4-yl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yloxypyrazin-2-yl)ethyl]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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide.

Molecular Properties

• Compound Name: pentakis(carbon dioxide);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-N-[(4S)-1-methyl-3,4-dihydro-2H-1,6-naphthyridin-4-yl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yloxypyrazin-2-yl)ethyl]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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide
• PubChem CID: 158341562
• Molecular Formula: C170H166N20O16
• Molecular Weight: 2745.32 g/mol
• Exact Mass: 2743.28
• IUPAC Name: pentakis(carbon dioxide);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-N-[(4S)-1-methyl-3,4-dihydro-2H-1,6-naphthyridin-4-yl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yloxypyrazin-2-yl)ethyl]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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide
• SMILES: Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cnc(OC(C)C)cn3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cnc4c(c3)CCCN4)cc12.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]3CCN(C)c4ccncc43)cc12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C34H34N4O.C33H34N4O2.2C33H32N4O.C32H34N4O.5CO2/c1-22-24(3)38(21-25-11-13-27(14-12-25)26-8-5-4-6-9-26)32-16-15-29(19-31(22)32)34(39)37-23(2)30-18-28-10-7-17-35-33(28)36-20-30;1-21(2)39-32-19-34-30(18-35-32)23(4)36-33(38)28-15-16-31-29(17-28)22(3)24(5)37(31)20-25-11-13-27(14-12-25)26-9-7-6-8-10-26;1-22-23(2)37(21-24-9-11-26(12-10-24)25-7-5-4-6-8-25)32-14-13-27(19-28(22)32)33(38)35-30-16-18-36(3)31-15-17-34-20-29(30)31;1-21-23(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;5*2-1-3/h4-6,8-9,11-16,18-20,23H,7,10,17,21H2,1-3H3,(H,35,36)(H,37,39);6-19,21,23H,20H2,1-5H3,(H,36,38);4-15,17,19-20,30H,16,18,21H2,1-3H3,(H,35,38);4-14,17-19,22H,15-16,20H2,1-3H3,(H,34,35)(H,36,38);6-18,20-21,23H,19H2,1-5H3,(H,34,37);;;;;/t2*23-;30-;22-;23-;;;;;/m00000...../s1
• InChIKey: GRFMTAFGQBYABU-ZHLYNYGXSA-N
• XLogP: 32.09
• TPSA: 459.65 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 32
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2745.32
LogP ≤ 5	32.09
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

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-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(4S)-1-methyl-3,4-dihydro-2H-1,6-naphthyridin-4-yl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yloxypyrazin-2-yl)ethyl]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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide?

The IUPAC name of pentakis(carbon dioxide);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-N-[(4S)-1-methyl-3,4-dihydro-2H-1,6-naphthyridin-4-yl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yloxypyrazin-2-yl)ethyl]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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide (CID 158341562) is pentakis(carbon dioxide);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-N-[(4S)-1-methyl-3,4-dihydro-2H-1,6-naphthyridin-4-yl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yloxypyrazin-2-yl)ethyl]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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide.

What is the SMILES notation for pentakis(carbon dioxide);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-N-[(4S)-1-methyl-3,4-dihydro-2H-1,6-naphthyridin-4-yl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yloxypyrazin-2-yl)ethyl]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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide?

The canonical SMILES for pentakis(carbon dioxide);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-N-[(4S)-1-methyl-3,4-dihydro-2H-1,6-naphthyridin-4-yl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yloxypyrazin-2-yl)ethyl]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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide is Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cnc(OC(C)C)cn3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cnc4c(c3)CCCN4)cc12.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]3CCN(C)c4ccncc43)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-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(4S)-1-methyl-3,4-dihydro-2H-1,6-naphthyridin-4-yl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yloxypyrazin-2-yl)ethyl]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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide?

The InChIKey is GRFMTAFGQBYABU-ZHLYNYGXSA-N. The full InChI is InChI=1S/C34H34N4O.C33H34N4O2.2C33H32N4O.C32H34N4O.5CO2/c1-22-24(3)38(21-25-11-13-27(14-12-25)26-8-5-4-6-9-26)32-16-15-29(19-31(22)32)34(39)37-23(2)30-18-28-10-7-17-35-33(28)36-20-30;1-21(2)39-32-19-34-30(18-35-32)23(4)36-33(38)28-15-16-31-29(17-28)22(3)24(5)37(31)20-25-11-13-27(14-12-25)26-9-7-6-8-10-26;1-22-23(2)37(21-24-9-11-26(12-10-24)25-7-5-4-6-8-25)32-14-13-27(19-28(22)32)33(38)35-30-16-18-36(3)31-15-17-34-20-29(30)31;1-21-23(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;5*2-1-3/h4-6,8-9,11-16,18-20,23H,7,10,17,21H2,1-3H3,(H,35,36)(H,37,39);6-19,21,23H,20H2,1-5H3,(H,36,38);4-15,17,19-20,30H,16,18,21H2,1-3H3,(H,35,38);4-14,17-19,22H,15-16,20H2,1-3H3,(H,34,35)(H,36,38);6-18,20-21,23H,19H2,1-5H3,(H,34,37);;;;;/t2*23-;30-;22-;23-;;;;;/m00000...../s1.

What are the key properties of pentakis(carbon dioxide);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-N-[(4S)-1-methyl-3,4-dihydro-2H-1,6-naphthyridin-4-yl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yloxypyrazin-2-yl)ethyl]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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide?

pentakis(carbon dioxide);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-N-[(4S)-1-methyl-3,4-dihydro-2H-1,6-naphthyridin-4-yl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yloxypyrazin-2-yl)ethyl]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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide has a molecular weight of 2745.32 g/mol, XLogP of 32.09, 32 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(carbon dioxide);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-N-[(4S)-1-methyl-3,4-dihydro-2H-1,6-naphthyridin-4-yl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yloxypyrazin-2-yl)ethyl]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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide is sourced from PubChem (CID 158341562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).