heptakis(carbon dioxide);(3S)-3-cyclopropyl-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)propan-1-one;N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-methoxyphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;(3S)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)pent-4-yn-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indazole-5-carboxamide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide;(3R)-4,4,4-trifluoro-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one

C246H225F6N17O22 — CID 157313312

IUPACheptakis(carbon dioxide);(3S)-3-cyclopropyl-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)propan-1-one;N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-methoxyphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;(3S)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)pent-4-yn-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indazole-5-carboxamide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide;(3R)-4,4,4-trifluoro-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one
SMILESC#C[C@H](CC(=O)c1ccc2c(C)nn(Cc3ccc(-c4ccccc4)cc3)c2c1)c1cccc(C(C)C)c1.C#C[C@H](NC(=O)c1ccc2c(c1)c(C)nn2Cc1ccc(-c2ccccc2)cc1)c1cccc(C(C)C)c1.COc1cccc([C@H](C)CC(=O)c2ccc3c(C)nn(Cc4ccc(-c5ccccc5)cc4)c3c2)c1.Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2cc(C(=O)C[C@H](c3cccc(C(C)C)c3)C(F)(F)F)ccc12.Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2cc(C(=O)C[C@H](c3cccc(C(C)C)c3)C3CC3)ccc12.Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](c3cccc(C(C)C)c3)C(F)(F)F)cc12.Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](c3cccc(C(C)C)c3)C3CC3)cc12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C36H36N2O.C35H35N3O.C35H32N2O.C34H31F3N2O.C34H31N3O.C33H30F3N3O.C32H30N2O2.7CO2/c1-24(2)30-10-7-11-31(20-30)34(29-16-17-29)22-36(39)32-18-19-33-25(3)37-38(35(33)21-32)23-26-12-14-28(15-13-26)27-8-5-4-6-9-27;1-23(2)29-10-7-11-30(20-29)34(28-16-17-28)36-35(39)31-18-19-33-32(21-31)24(3)37-38(33)22-25-12-14-27(15-13-25)26-8-5-4-6-9-26;1-5-27(31-13-9-12-30(20-31)24(2)3)22-35(38)32-18-19-33-25(4)36-37(34(33)21-32)23-26-14-16-29(17-15-26)28-10-7-6-8-11-28;1-22(2)27-10-7-11-28(18-27)31(34(35,36)37)20-33(40)29-16-17-30-23(3)38-39(32(30)19-29)21-24-12-14-26(15-13-24)25-8-5-4-6-9-25;1-5-32(29-13-9-12-28(20-29)23(2)3)35-34(38)30-18-19-33-31(21-30)24(4)36-37(33)22-25-14-16-27(17-15-25)26-10-7-6-8-11-26;1-21(2)26-10-7-11-27(18-26)31(33(34,35)36)37-32(40)28-16-17-30-29(19-28)22(3)38-39(30)20-23-12-14-25(15-13-23)24-8-5-4-6-9-24;1-22(27-10-7-11-29(19-27)36-3)18-32(35)28-16-17-30-23(2)33-34(31(30)20-28)21-24-12-14-26(15-13-24)25-8-5-4-6-9-25;7*2-1-3/h4-15,18-21,24,29,34H,16-17,22-23H2,1-3H3;4-15,18-21,23,28,34H,16-17,22H2,1-3H3,(H,36,39);1,6-21,24,27H,22-23H2,2-4H3;4-19,22,31H,20-21H2,1-3H3;1,6-21,23,32H,22H2,2-4H3,(H,35,38);4-19,21,31H,20H2,1-3H3,(H,37,40);4-17,19-20,22H,18,21H2,1-3H3;;;;;;;/t2*34-;27-;31-;32-;31-;22-;;;;;;;/m0011011......./s1
InChIKeyBDHFIKCSFCCKKP-AKKMDDLPSA-N
MW3885.59 g/mol
LogP53.16
Rot. Bonds55

About heptakis(carbon dioxide);(3S)-3-cyclopropyl-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)propan-1-one;N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-methoxyphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;(3S)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)pent-4-yn-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indazole-5-carboxamide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide;(3R)-4,4,4-trifluoro-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one

heptakis(carbon dioxide);(3S)-3-cyclopropyl-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)propan-1-one;N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-methoxyphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;(3S)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)pent-4-yn-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indazole-5-carboxamide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide;(3R)-4,4,4-trifluoro-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one (PubChem CID 157313312) has the molecular formula C246H225F6N17O22 and a molecular weight of 3885.59 g/mol. Its IUPAC name is heptakis(carbon dioxide);(3S)-3-cyclopropyl-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)propan-1-one;N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-methoxyphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;(3S)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)pent-4-yn-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indazole-5-carboxamide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide;(3R)-4,4,4-trifluoro-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one.

Molecular Properties

Compound Nameheptakis(carbon dioxide);(3S)-3-cyclopropyl-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)propan-1-one;N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-methoxyphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;(3S)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)pent-4-yn-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indazole-5-carboxamide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide;(3R)-4,4,4-trifluoro-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one
PubChem CID157313312
Molecular FormulaC246H225F6N17O22
Molecular Weight3885.59 g/mol
Exact Mass3882.69
IUPAC Nameheptakis(carbon dioxide);(3S)-3-cyclopropyl-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)propan-1-one;N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-methoxyphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;(3S)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)pent-4-yn-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indazole-5-carboxamide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide;(3R)-4,4,4-trifluoro-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one
SMILESC#C[C@H](CC(=O)c1ccc2c(C)nn(Cc3ccc(-c4ccccc4)cc3)c2c1)c1cccc(C(C)C)c1.C#C[C@H](NC(=O)c1ccc2c(c1)c(C)nn2Cc1ccc(-c2ccccc2)cc1)c1cccc(C(C)C)c1.COc1cccc([C@H](C)CC(=O)c2ccc3c(C)nn(Cc4ccc(-c5ccccc5)cc4)c3c2)c1.Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2cc(C(=O)C[C@H](c3cccc(C(C)C)c3)C(F)(F)F)ccc12.Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2cc(C(=O)C[C@H](c3cccc(C(C)C)c3)C3CC3)ccc12.Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](c3cccc(C(C)C)c3)C(F)(F)F)cc12.Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](c3cccc(C(C)C)c3)C3CC3)cc12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C36H36N2O.C35H35N3O.C35H32N2O.C34H31F3N2O.C34H31N3O.C33H30F3N3O.C32H30N2O2.7CO2/c1-24(2)30-10-7-11-31(20-30)34(29-16-17-29)22-36(39)32-18-19-33-25(3)37-38(35(33)21-32)23-26-12-14-28(15-13-26)27-8-5-4-6-9-27;1-23(2)29-10-7-11-30(20-29)34(28-16-17-28)36-35(39)31-18-19-33-32(21-31)24(3)37-38(33)22-25-12-14-27(15-13-25)26-8-5-4-6-9-26;1-5-27(31-13-9-12-30(20-31)24(2)3)22-35(38)32-18-19-33-25(4)36-37(34(33)21-32)23-26-14-16-29(17-15-26)28-10-7-6-8-11-28;1-22(2)27-10-7-11-28(18-27)31(34(35,36)37)20-33(40)29-16-17-30-23(3)38-39(32(30)19-29)21-24-12-14-26(15-13-24)25-8-5-4-6-9-25;1-5-32(29-13-9-12-28(20-29)23(2)3)35-34(38)30-18-19-33-31(21-30)24(4)36-37(33)22-25-14-16-27(17-15-25)26-10-7-6-8-11-26;1-21(2)26-10-7-11-27(18-26)31(33(34,35)36)37-32(40)28-16-17-30-29(19-28)22(3)38-39(30)20-23-12-14-25(15-13-23)24-8-5-4-6-9-24;1-22(27-10-7-11-29(19-27)36-3)18-32(35)28-16-17-30-23(2)33-34(31(30)20-28)21-24-12-14-26(15-13-24)25-8-5-4-6-9-25;7*2-1-3/h4-15,18-21,24,29,34H,16-17,22-23H2,1-3H3;4-15,18-21,23,28,34H,16-17,22H2,1-3H3,(H,36,39);1,6-21,24,27H,22-23H2,2-4H3;4-19,22,31H,20-21H2,1-3H3;1,6-21,23,32H,22H2,2-4H3,(H,35,38);4-19,21,31H,20H2,1-3H3,(H,37,40);4-17,19-20,22H,18,21H2,1-3H3;;;;;;;/t2*34-;27-;31-;32-;31-;22-;;;;;;;/m0011011......./s1
InChIKeyBDHFIKCSFCCKKP-AKKMDDLPSA-N
XLogP53.16
TPSA528.53 Ų
H-Bond Donors3
H-Bond Acceptors36
Rotatable Bonds55
Heavy Atoms291
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003885.59
LogP ≤ 553.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1036

Analyze heptakis(carbon dioxide);(3S)-3-cyclopropyl-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)propan-1-one;N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-methoxyphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;(3S)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)pent-4-yn-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indazole-5-carboxamide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide;(3R)-4,4,4-trifluoro-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one with MolForge

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Related Compounds

N-[(1S)-1-(3-tert-butylphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-tert-butylphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;heptakis(carbon dioxide);N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-cyclopropylphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide
CID 157427820
hexakis(carbon dioxide);N-[(1R)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopropyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indole-5-carboxamide;N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158533833
(2,3-difluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(2-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(3-methoxyphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-methylphenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 159872162
2-[1-[(2-aminophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[4-(phenoxymethyl)phenyl]ethanone;2-[1-[(3-aminophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[4-(phenoxymethyl)phenyl]ethanone;2-[1-[(4-aminophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[4-(phenoxymethyl)phenyl]ethanone;3-[[3,5-dimethyl-4-[methyl-[4-(phenoxymethyl)benzoyl]amino]pyrazol-1-yl]methyl]-N-methylbenzamide;N-[2-[[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]acetamide;N-[4-[[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]acetamide;1-[3-[[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one
CID 161029146
2-[3-acetyl-5-(3-methylbutyl)indazol-1-yl]-N-methyl-N-(2-oxo-azacyclotridec-3-yl)acetamide;2-(3-acetyl-5-methylindazol-1-yl)-N-methyl-N-(2-oxo-azacyclotridec-3-yl)acetamide;2-[3-acetyl-5-(2-methylpropoxy)indazol-1-yl]-N-methyl-N-(2-oxo-azacyclotridec-3-yl)acetamide;2-(3-acetyl-5-propan-2-ylindazol-1-yl)-N-methyl-N-(2-oxo-azacyclotridec-3-yl)acetamide;2-(3-acetyl-5-propan-2-yloxyindazol-1-yl)-N-methyl-N-(2-oxo-azacyclotridec-3-yl)acetamide
CID 167570723

Frequently Asked Questions

What is the IUPAC name of heptakis(carbon dioxide);(3S)-3-cyclopropyl-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)propan-1-one;N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-methoxyphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;(3S)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)pent-4-yn-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indazole-5-carboxamide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide;(3R)-4,4,4-trifluoro-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one?
The IUPAC name of heptakis(carbon dioxide);(3S)-3-cyclopropyl-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)propan-1-one;N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-methoxyphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;(3S)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)pent-4-yn-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indazole-5-carboxamide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide;(3R)-4,4,4-trifluoro-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one (CID 157313312) is heptakis(carbon dioxide);(3S)-3-cyclopropyl-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)propan-1-one;N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-methoxyphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;(3S)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)pent-4-yn-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indazole-5-carboxamide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide;(3R)-4,4,4-trifluoro-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one.
What is the SMILES notation for heptakis(carbon dioxide);(3S)-3-cyclopropyl-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)propan-1-one;N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-methoxyphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;(3S)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)pent-4-yn-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indazole-5-carboxamide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide;(3R)-4,4,4-trifluoro-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one?
The canonical SMILES for heptakis(carbon dioxide);(3S)-3-cyclopropyl-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)propan-1-one;N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-methoxyphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;(3S)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)pent-4-yn-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indazole-5-carboxamide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide;(3R)-4,4,4-trifluoro-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one is C#C[C@H](CC(=O)c1ccc2c(C)nn(Cc3ccc(-c4ccccc4)cc3)c2c1)c1cccc(C(C)C)c1.C#C[C@H](NC(=O)c1ccc2c(c1)c(C)nn2Cc1ccc(-c2ccccc2)cc1)c1cccc(C(C)C)c1.COc1cccc([C@H](C)CC(=O)c2ccc3c(C)nn(Cc4ccc(-c5ccccc5)cc4)c3c2)c1.Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2cc(C(=O)C[C@H](c3cccc(C(C)C)c3)C(F)(F)F)ccc12.Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2cc(C(=O)C[C@H](c3cccc(C(C)C)c3)C3CC3)ccc12.Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](c3cccc(C(C)C)c3)C(F)(F)F)cc12.Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](c3cccc(C(C)C)c3)C3CC3)cc12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of heptakis(carbon dioxide);(3S)-3-cyclopropyl-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)propan-1-one;N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-methoxyphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;(3S)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)pent-4-yn-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indazole-5-carboxamide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide;(3R)-4,4,4-trifluoro-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one?
The InChIKey is BDHFIKCSFCCKKP-AKKMDDLPSA-N. The full InChI is InChI=1S/C36H36N2O.C35H35N3O.C35H32N2O.C34H31F3N2O.C34H31N3O.C33H30F3N3O.C32H30N2O2.7CO2/c1-24(2)30-10-7-11-31(20-30)34(29-16-17-29)22-36(39)32-18-19-33-25(3)37-38(35(33)21-32)23-26-12-14-28(15-13-26)27-8-5-4-6-9-27;1-23(2)29-10-7-11-30(20-29)34(28-16-17-28)36-35(39)31-18-19-33-32(21-31)24(3)37-38(33)22-25-12-14-27(15-13-25)26-8-5-4-6-9-26;1-5-27(31-13-9-12-30(20-31)24(2)3)22-35(38)32-18-19-33-25(4)36-37(34(33)21-32)23-26-14-16-29(17-15-26)28-10-7-6-8-11-28;1-22(2)27-10-7-11-28(18-27)31(34(35,36)37)20-33(40)29-16-17-30-23(3)38-39(32(30)19-29)21-24-12-14-26(15-13-24)25-8-5-4-6-9-25;1-5-32(29-13-9-12-28(20-29)23(2)3)35-34(38)30-18-19-33-31(21-30)24(4)36-37(33)22-25-14-16-27(17-15-25)26-10-7-6-8-11-26;1-21(2)26-10-7-11-27(18-26)31(33(34,35)36)37-32(40)28-16-17-30-29(19-28)22(3)38-39(30)20-23-12-14-25(15-13-23)24-8-5-4-6-9-24;1-22(27-10-7-11-29(19-27)36-3)18-32(35)28-16-17-30-23(2)33-34(31(30)20-28)21-24-12-14-26(15-13-24)25-8-5-4-6-9-25;7*2-1-3/h4-15,18-21,24,29,34H,16-17,22-23H2,1-3H3;4-15,18-21,23,28,34H,16-17,22H2,1-3H3,(H,36,39);1,6-21,24,27H,22-23H2,2-4H3;4-19,22,31H,20-21H2,1-3H3;1,6-21,23,32H,22H2,2-4H3,(H,35,38);4-19,21,31H,20H2,1-3H3,(H,37,40);4-17,19-20,22H,18,21H2,1-3H3;;;;;;;/t2*34-;27-;31-;32-;31-;22-;;;;;;;/m0011011......./s1.
What are the key properties of heptakis(carbon dioxide);(3S)-3-cyclopropyl-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)propan-1-one;N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-methoxyphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;(3S)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)pent-4-yn-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indazole-5-carboxamide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide;(3R)-4,4,4-trifluoro-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one?
heptakis(carbon dioxide);(3S)-3-cyclopropyl-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)propan-1-one;N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-methoxyphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;(3S)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)pent-4-yn-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indazole-5-carboxamide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide;(3R)-4,4,4-trifluoro-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one has a molecular weight of 3885.59 g/mol, XLogP of 53.16, 55 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for heptakis(carbon dioxide);(3S)-3-cyclopropyl-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)propan-1-one;N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-methoxyphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;(3S)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)pent-4-yn-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)prop-2-ynyl]indazole-5-carboxamide;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide;(3R)-4,4,4-trifluoro-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one is sourced from PubChem (CID 157313312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).