hexakis(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;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide

C199H195N25O18S — CID 158987823

IUPAChexakis(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;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide
SMILESCc1c(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](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.O=C=O
InChIInChI=1S/C34H34N4O.C33H32N4O.C32H34N4O.C32H31N3OS.C31H31N5O.C31H33N5O.6CO2/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;1-21-23(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;6*2-1-3/h4-6,8-9,11-16,18-20,23H,7,10,17,21H2,1-3H3,(H,35,36)(H,37,39);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);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);;;;;;/t23-;22-;23-;2*21-;22-;;;;;;/m000000....../s1
InChIKeyJPUDBYUUZVRXLR-SGNPOVSOSA-N
MW3256.97 g/mol
LogP38.61
Rot. Bonds40

About hexakis(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;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide

hexakis(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;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 158987823) has the molecular formula C199H195N25O18S and a molecular weight of 3256.97 g/mol. Its IUPAC name is hexakis(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;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 Namehexakis(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;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 CID158987823
Molecular FormulaC199H195N25O18S
Molecular Weight3256.97 g/mol
Exact Mass3254.48
IUPAC Namehexakis(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;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide
SMILESCc1c(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](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.O=C=O
InChIInChI=1S/C34H34N4O.C33H32N4O.C32H34N4O.C32H31N3OS.C31H31N5O.C31H33N5O.6CO2/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;1-21-23(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;6*2-1-3/h4-6,8-9,11-16,18-20,23H,7,10,17,21H2,1-3H3,(H,35,36)(H,37,39);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);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);;;;;;/t23-;22-;23-;2*21-;22-;;;;;;/m000000....../s1
InChIKeyJPUDBYUUZVRXLR-SGNPOVSOSA-N
XLogP38.61
TPSA550.99 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds40
Heavy Atoms243
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003256.97
LogP ≤ 538.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze hexakis(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;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexakis(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;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 hexakis(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;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 158987823) is hexakis(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;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 hexakis(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;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 hexakis(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;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)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](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.O=C=O.
What is the InChIKey of hexakis(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;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 JPUDBYUUZVRXLR-SGNPOVSOSA-N. The full InChI is InChI=1S/C34H34N4O.C33H32N4O.C32H34N4O.C32H31N3OS.C31H31N5O.C31H33N5O.6CO2/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;1-21-23(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;6*2-1-3/h4-6,8-9,11-16,18-20,23H,7,10,17,21H2,1-3H3,(H,35,36)(H,37,39);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);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);;;;;;/t23-;22-;23-;2*21-;22-;;;;;;/m000000....../s1.
What are the key properties of hexakis(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;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]indole-5-carboxamide?
hexakis(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;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 3256.97 g/mol, XLogP of 38.61, 40 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(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;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 158987823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).