(2R)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one

C238H249N25O12 — CID 157086992

IUPAC(2R)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one
SMILESCC(=O)Cc1ccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CC(=O)N1CCC(c2ccc3c(C(=O)[C@@H](NCCc4ccc(C)cc4)c4ccccc4)c[nH]c3c2)CC1.CC(=O)N1CCC(c2ccc3c(C(=O)[C@H](NCCc4ccc(C)cc4)c4ccccc4)c[nH]c3c2)CC1.CC(=O)c1ccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2n1.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3cc(C4CCN(C)CC4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3cc(C4CCN(C)CC4)ccc23)c2ccccc2)cc1
InChIInChI=1S/2C32H35N3O2.2C31H35N3O.2C29H28N4O.C28H28N2O2.C26H25N3O2/c2*1-22-8-10-24(11-9-22)14-17-33-31(26-6-4-3-5-7-26)32(37)29-21-34-30-20-27(12-13-28(29)30)25-15-18-35(19-16-25)23(2)36;2*1-22-8-10-23(11-9-22)14-17-32-30(25-6-4-3-5-7-25)31(35)28-21-33-29-20-26(12-13-27(28)29)24-15-18-34(2)19-16-24;2*1-20-8-10-21(11-9-20)14-15-30-28(22-6-4-3-5-7-22)29(34)26-18-31-27-16-23(12-13-25(26)27)24-17-32-33(2)19-24;1-19-8-10-21(11-9-19)14-15-29-27(23-6-4-3-5-7-23)28(32)25-18-30-26-17-22(16-20(2)31)12-13-24(25)26;1-17-8-10-19(11-9-17)14-15-27-24(20-6-4-3-5-7-20)25(31)22-16-28-26-21(22)12-13-23(29-26)18(2)30/h2*3-13,20-21,25,31,33-34H,14-19H2,1-2H3;2*3-13,20-21,24,30,32-33H,14-19H2,1-2H3;2*3-13,16-19,28,30-31H,14-15H2,1-2H3;3-13,17-18,27,29-30H,14-16H2,1-2H3;3-13,16,24,27H,14-15H2,1-2H3,(H,28,29)/t2*31-;2*30-;2*28-;27-;24-/m10101010/s1
InChIKeyAEEYPPMJZBUBJS-WLASBAPPSA-N
MW3651.77 g/mol
LogP45.46
Rot. Bonds65

About (2R)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one

(2R)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one (PubChem CID 157086992) has the molecular formula C238H249N25O12 and a molecular weight of 3651.77 g/mol. Its IUPAC name is (2R)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one.

Molecular Properties

Compound Name(2R)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one
PubChem CID157086992
Molecular FormulaC238H249N25O12
Molecular Weight3651.77 g/mol
Exact Mass3648.96
IUPAC Name(2R)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one
SMILESCC(=O)Cc1ccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CC(=O)N1CCC(c2ccc3c(C(=O)[C@@H](NCCc4ccc(C)cc4)c4ccccc4)c[nH]c3c2)CC1.CC(=O)N1CCC(c2ccc3c(C(=O)[C@H](NCCc4ccc(C)cc4)c4ccccc4)c[nH]c3c2)CC1.CC(=O)c1ccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2n1.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3cc(C4CCN(C)CC4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3cc(C4CCN(C)CC4)ccc23)c2ccccc2)cc1
InChIInChI=1S/2C32H35N3O2.2C31H35N3O.2C29H28N4O.C28H28N2O2.C26H25N3O2/c2*1-22-8-10-24(11-9-22)14-17-33-31(26-6-4-3-5-7-26)32(37)29-21-34-30-20-27(12-13-28(29)30)25-15-18-35(19-16-25)23(2)36;2*1-22-8-10-23(11-9-22)14-17-32-30(25-6-4-3-5-7-25)31(35)28-21-33-29-20-26(12-13-27(28)29)24-15-18-34(2)19-16-24;2*1-20-8-10-21(11-9-20)14-15-30-28(22-6-4-3-5-7-22)29(34)26-18-31-27-16-23(12-13-25(26)27)24-17-32-33(2)19-24;1-19-8-10-21(11-9-19)14-15-29-27(23-6-4-3-5-7-23)28(32)25-18-30-26-17-22(16-20(2)31)12-13-24(25)26;1-17-8-10-19(11-9-17)14-15-27-24(20-6-4-3-5-7-20)25(31)22-16-28-26-21(22)12-13-23(29-26)18(2)30/h2*3-13,20-21,25,31,33-34H,14-19H2,1-2H3;2*3-13,20-21,24,30,32-33H,14-19H2,1-2H3;2*3-13,16-19,28,30-31H,14-15H2,1-2H3;3-13,17-18,27,29-30H,14-16H2,1-2H3;3-13,16,24,27H,14-15H2,1-2H3,(H,28,29)/t2*31-;2*30-;2*28-;27-;24-/m10101010/s1
InChIKeyAEEYPPMJZBUBJS-WLASBAPPSA-N
XLogP45.46
TPSA488.89 Ų
H-Bond Donors16
H-Bond Acceptors27
Rotatable Bonds65
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003651.77
LogP ≤ 545.46
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1027

Analyze (2R)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one with MolForge

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Related Compounds

CID 155599193
CID 155599193
N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]-4-[[4-(1-propylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 155599189
N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]-4-[[4-(1-propylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 155599192
N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]pentyl]-4-[[4-(1-propylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 162675943
PROTAC CDK2/9 Degrader-1
CID 145925673
N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-4-[[4-(1-propylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 155599165
4-[[4-[1-[(1R)-2-cyano-1-cyclopentylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]benzamide
CID 155599183
N-[4-[[4-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 156012504
N-[4-[[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 156013966
N-[4-[[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 156016225
N-[4-[[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 156020883
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 137379378

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one?
The IUPAC name of (2R)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one (CID 157086992) is (2R)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one.
What is the SMILES notation for (2R)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one?
The canonical SMILES for (2R)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one is CC(=O)Cc1ccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CC(=O)N1CCC(c2ccc3c(C(=O)[C@@H](NCCc4ccc(C)cc4)c4ccccc4)c[nH]c3c2)CC1.CC(=O)N1CCC(c2ccc3c(C(=O)[C@H](NCCc4ccc(C)cc4)c4ccccc4)c[nH]c3c2)CC1.CC(=O)c1ccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2n1.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3cc(C4CCN(C)CC4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3cc(C4CCN(C)CC4)ccc23)c2ccccc2)cc1.
What is the InChIKey of (2R)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one?
The InChIKey is AEEYPPMJZBUBJS-WLASBAPPSA-N. The full InChI is InChI=1S/2C32H35N3O2.2C31H35N3O.2C29H28N4O.C28H28N2O2.C26H25N3O2/c2*1-22-8-10-24(11-9-22)14-17-33-31(26-6-4-3-5-7-26)32(37)29-21-34-30-20-27(12-13-28(29)30)25-15-18-35(19-16-25)23(2)36;2*1-22-8-10-23(11-9-22)14-17-32-30(25-6-4-3-5-7-25)31(35)28-21-33-29-20-26(12-13-27(28)29)24-15-18-34(2)19-16-24;2*1-20-8-10-21(11-9-20)14-15-30-28(22-6-4-3-5-7-22)29(34)26-18-31-27-16-23(12-13-25(26)27)24-17-32-33(2)19-24;1-19-8-10-21(11-9-19)14-15-29-27(23-6-4-3-5-7-23)28(32)25-18-30-26-17-22(16-20(2)31)12-13-24(25)26;1-17-8-10-19(11-9-17)14-15-27-24(20-6-4-3-5-7-20)25(31)22-16-28-26-21(22)12-13-23(29-26)18(2)30/h2*3-13,20-21,25,31,33-34H,14-19H2,1-2H3;2*3-13,20-21,24,30,32-33H,14-19H2,1-2H3;2*3-13,16-19,28,30-31H,14-15H2,1-2H3;3-13,17-18,27,29-30H,14-16H2,1-2H3;3-13,16,24,27H,14-15H2,1-2H3,(H,28,29)/t2*31-;2*30-;2*28-;27-;24-/m10101010/s1.
What are the key properties of (2R)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one?
(2R)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one has a molecular weight of 3651.77 g/mol, XLogP of 45.46, 65 rotatable bonds, 16 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-[6-(1-acetylpiperidin-4-yl)-1H-indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpiperidin-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-2-phenylethanone;1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one is sourced from PubChem (CID 157086992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).