[4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone

C147H195F3N14O14 — CID 163545827

IUPAC[4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc2[nH]c(C(=O)N3CC(C4CCCCC4)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC(C)(C)C)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC(F)(F)F)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(c4ccccc4)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(c4cccnc4)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(c4ccncc4)CC3(C(C)C)C(C)C)cc12
InChIInChI=1S/C26H38N2O2.C26H32N2O2.2C25H31N3O2.C24H36N2O3.C21H27F3N2O3/c2*1-17(2)26(18(3)4)15-20(19-10-7-6-8-11-19)16-28(26)25(29)23-14-21-22(27-23)12-9-13-24(21)30-5;1-16(2)25(17(3)4)13-19(18-8-7-11-26-14-18)15-28(25)24(29)22-12-20-21(27-22)9-6-10-23(20)30-5;1-16(2)25(17(3)4)14-19(18-9-11-26-12-10-18)15-28(25)24(29)22-13-20-21(27-22)7-6-8-23(20)30-5;1-15(2)24(16(3)4)13-17(29-23(5,6)7)14-26(24)22(27)20-12-18-19(25-20)10-9-11-21(18)28-8;1-12(2)20(13(3)4)10-14(29-21(22,23)24)11-26(20)19(27)17-9-15-16(25-17)7-6-8-18(15)28-5/h9,12-14,17-20,27H,6-8,10-11,15-16H2,1-5H3;6-14,17-18,20,27H,15-16H2,1-5H3;6-12,14,16-17,19,27H,13,15H2,1-5H3;6-13,16-17,19,27H,14-15H2,1-5H3;9-12,15-17,25H,13-14H2,1-8H3;6-9,12-14,25H,10-11H2,1-5H3
InChIKeyFEYDSJNCSBNTCZ-UHFFFAOYSA-N
MW2439.25 g/mol
LogP32.87
Rot. Bonds30

About [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone

[4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 163545827) has the molecular formula C147H195F3N14O14 and a molecular weight of 2439.25 g/mol. Its IUPAC name is [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone
PubChem CID163545827
Molecular FormulaC147H195F3N14O14
Molecular Weight2439.25 g/mol
Exact Mass2437.49
IUPAC Name[4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc2[nH]c(C(=O)N3CC(C4CCCCC4)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC(C)(C)C)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC(F)(F)F)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(c4ccccc4)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(c4cccnc4)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(c4ccncc4)CC3(C(C)C)C(C)C)cc12
InChIInChI=1S/C26H38N2O2.C26H32N2O2.2C25H31N3O2.C24H36N2O3.C21H27F3N2O3/c2*1-17(2)26(18(3)4)15-20(19-10-7-6-8-11-19)16-28(26)25(29)23-14-21-22(27-23)12-9-13-24(21)30-5;1-16(2)25(17(3)4)13-19(18-8-7-11-26-14-18)15-28(25)24(29)22-12-20-21(27-22)9-6-10-23(20)30-5;1-16(2)25(17(3)4)14-19(18-9-11-26-12-10-18)15-28(25)24(29)22-13-20-21(27-22)7-6-8-23(20)30-5;1-15(2)24(16(3)4)13-17(29-23(5,6)7)14-26(24)22(27)20-12-18-19(25-20)10-9-11-21(18)28-8;1-12(2)20(13(3)4)10-14(29-21(22,23)24)11-26(20)19(27)17-9-15-16(25-17)7-6-8-18(15)28-5/h9,12-14,17-20,27H,6-8,10-11,15-16H2,1-5H3;6-14,17-18,20,27H,15-16H2,1-5H3;6-12,14,16-17,19,27H,13,15H2,1-5H3;6-13,16-17,19,27H,14-15H2,1-5H3;9-12,15-17,25H,13-14H2,1-8H3;6-9,12-14,25H,10-11H2,1-5H3
InChIKeyFEYDSJNCSBNTCZ-UHFFFAOYSA-N
XLogP32.87
TPSA316.22 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms178
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002439.25
LogP ≤ 532.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone (CID 163545827) is [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone is COc1cccc2[nH]c(C(=O)N3CC(C4CCCCC4)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC(C)(C)C)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC(F)(F)F)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(c4ccccc4)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(c4cccnc4)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(c4ccncc4)CC3(C(C)C)C(C)C)cc12.
What is the InChIKey of [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is FEYDSJNCSBNTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O2.C26H32N2O2.2C25H31N3O2.C24H36N2O3.C21H27F3N2O3/c2*1-17(2)26(18(3)4)15-20(19-10-7-6-8-11-19)16-28(26)25(29)23-14-21-22(27-23)12-9-13-24(21)30-5;1-16(2)25(17(3)4)13-19(18-8-7-11-26-14-18)15-28(25)24(29)22-12-20-21(27-22)9-6-10-23(20)30-5;1-16(2)25(17(3)4)14-19(18-9-11-26-12-10-18)15-28(25)24(29)22-13-20-21(27-22)7-6-8-23(20)30-5;1-15(2)24(16(3)4)13-17(29-23(5,6)7)14-26(24)22(27)20-12-18-19(25-20)10-9-11-21(18)28-8;1-12(2)20(13(3)4)10-14(29-21(22,23)24)11-26(20)19(27)17-9-15-16(25-17)7-6-8-18(15)28-5/h9,12-14,17-20,27H,6-8,10-11,15-16H2,1-5H3;6-14,17-18,20,27H,15-16H2,1-5H3;6-12,14,16-17,19,27H,13,15H2,1-5H3;6-13,16-17,19,27H,14-15H2,1-5H3;9-12,15-17,25H,13-14H2,1-8H3;6-9,12-14,25H,10-11H2,1-5H3.
What are the key properties of [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone?
[4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 2439.25 g/mol, XLogP of 32.87, 30 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclohexyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-pyridin-4-ylpyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-1H-indol-2-yl)-[4-[(2-methylpropan-2-yl)oxy]-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 163545827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).