[4-cyclopropyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;(4-methoxy-1H-indol-2-yl)-[4-methylsulfanyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-methylsulfonyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[3-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone

C142H209F3N12O14S2 — CID 158754214

IUPAC[4-cyclopropyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;(4-methoxy-1H-indol-2-yl)-[4-methylsulfanyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-methylsulfonyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[3-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone
SMILESC.C.C.C.C.C.COc1cccc2[nH]c(C(=O)N3CC(C(F)(F)F)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(C4CC4)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(S(C)(=O)=O)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(SC)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CCCC4)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CCC(c4ccccc4)C3(C(C)C)C(C)C)cc12
InChIInChI=1S/C26H32N2O2.C24H34N2O2.C23H32N2O2.C21H27F3N2O2.C21H30N2O4S.C21H30N2O2S.6CH4/c1-17(2)26(18(3)4)21(19-10-7-6-8-11-19)14-15-28(26)25(29)23-16-20-22(27-23)12-9-13-24(20)30-5;1-16(2)24(17(3)4)14-23(11-6-7-12-23)15-26(24)22(27)20-13-18-19(25-20)9-8-10-21(18)28-5;1-14(2)23(15(3)4)12-17(16-9-10-16)13-25(23)22(26)20-11-18-19(24-20)7-6-8-21(18)27-5;1-12(2)20(13(3)4)10-14(21(22,23)24)11-26(20)19(27)17-9-15-16(25-17)7-6-8-18(15)28-5;1-13(2)21(14(3)4)11-15(28(6,25)26)12-23(21)20(24)18-10-16-17(22-18)8-7-9-19(16)27-5;1-13(2)21(14(3)4)11-15(26-6)12-23(21)20(24)18-10-16-17(22-18)8-7-9-19(16)25-5;;;;;;/h6-13,16-18,21,27H,14-15H2,1-5H3;8-10,13,16-17,25H,6-7,11-12,14-15H2,1-5H3;6-8,11,14-17,24H,9-10,12-13H2,1-5H3;6-9,12-14,25H,10-11H2,1-5H3;7-10,13-15,22H,11-12H2,1-6H3;7-10,13-15,22H,11-12H2,1-6H3;6*1H4
InChIKeyINVZRJLKJLPNCZ-UHFFFAOYSA-N
MW2429.43 g/mol
LogP33.95
Rot. Bonds28

About [4-cyclopropyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;(4-methoxy-1H-indol-2-yl)-[4-methylsulfanyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-methylsulfonyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[3-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone

[4-cyclopropyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;(4-methoxy-1H-indol-2-yl)-[4-methylsulfanyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-methylsulfonyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[3-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 158754214) has the molecular formula C142H209F3N12O14S2 and a molecular weight of 2429.43 g/mol. Its IUPAC name is [4-cyclopropyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;(4-methoxy-1H-indol-2-yl)-[4-methylsulfanyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-methylsulfonyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[3-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-cyclopropyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;(4-methoxy-1H-indol-2-yl)-[4-methylsulfanyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-methylsulfonyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[3-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone
PubChem CID158754214
Molecular FormulaC142H209F3N12O14S2
Molecular Weight2429.43 g/mol
Exact Mass2427.54
IUPAC Name[4-cyclopropyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;(4-methoxy-1H-indol-2-yl)-[4-methylsulfanyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-methylsulfonyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[3-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone
SMILESC.C.C.C.C.C.COc1cccc2[nH]c(C(=O)N3CC(C(F)(F)F)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(C4CC4)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(S(C)(=O)=O)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(SC)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CCCC4)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CCC(c4ccccc4)C3(C(C)C)C(C)C)cc12
InChIInChI=1S/C26H32N2O2.C24H34N2O2.C23H32N2O2.C21H27F3N2O2.C21H30N2O4S.C21H30N2O2S.6CH4/c1-17(2)26(18(3)4)21(19-10-7-6-8-11-19)14-15-28(26)25(29)23-16-20-22(27-23)12-9-13-24(20)30-5;1-16(2)24(17(3)4)14-23(11-6-7-12-23)15-26(24)22(27)20-13-18-19(25-20)9-8-10-21(18)28-5;1-14(2)23(15(3)4)12-17(16-9-10-16)13-25(23)22(26)20-11-18-19(24-20)7-6-8-21(18)27-5;1-12(2)20(13(3)4)10-14(21(22,23)24)11-26(20)19(27)17-9-15-16(25-17)7-6-8-18(15)28-5;1-13(2)21(14(3)4)11-15(28(6,25)26)12-23(21)20(24)18-10-16-17(22-18)8-7-9-19(16)27-5;1-13(2)21(14(3)4)11-15(26-6)12-23(21)20(24)18-10-16-17(22-18)8-7-9-19(16)25-5;;;;;;/h6-13,16-18,21,27H,14-15H2,1-5H3;8-10,13,16-17,25H,6-7,11-12,14-15H2,1-5H3;6-8,11,14-17,24H,9-10,12-13H2,1-5H3;6-9,12-14,25H,10-11H2,1-5H3;7-10,13-15,22H,11-12H2,1-6H3;7-10,13-15,22H,11-12H2,1-6H3;6*1H4
InChIKeyINVZRJLKJLPNCZ-UHFFFAOYSA-N
XLogP33.95
TPSA306.12 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds28
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002429.43
LogP ≤ 533.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze [4-cyclopropyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;(4-methoxy-1H-indol-2-yl)-[4-methylsulfanyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-methylsulfonyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[3-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-cyclopropyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;(4-methoxy-1H-indol-2-yl)-[4-methylsulfanyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-methylsulfonyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[3-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-cyclopropyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;(4-methoxy-1H-indol-2-yl)-[4-methylsulfanyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-methylsulfonyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[3-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone (CID 158754214) is [4-cyclopropyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;(4-methoxy-1H-indol-2-yl)-[4-methylsulfanyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-methylsulfonyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[3-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-cyclopropyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;(4-methoxy-1H-indol-2-yl)-[4-methylsulfanyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-methylsulfonyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[3-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-cyclopropyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;(4-methoxy-1H-indol-2-yl)-[4-methylsulfanyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-methylsulfonyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[3-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone is C.C.C.C.C.C.COc1cccc2[nH]c(C(=O)N3CC(C(F)(F)F)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(C4CC4)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(S(C)(=O)=O)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(SC)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CCCC4)CC3(C(C)C)C(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CCC(c4ccccc4)C3(C(C)C)C(C)C)cc12.
What is the InChIKey of [4-cyclopropyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;(4-methoxy-1H-indol-2-yl)-[4-methylsulfanyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-methylsulfonyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[3-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is INVZRJLKJLPNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2.C24H34N2O2.C23H32N2O2.C21H27F3N2O2.C21H30N2O4S.C21H30N2O2S.6CH4/c1-17(2)26(18(3)4)21(19-10-7-6-8-11-19)14-15-28(26)25(29)23-16-20-22(27-23)12-9-13-24(20)30-5;1-16(2)24(17(3)4)14-23(11-6-7-12-23)15-26(24)22(27)20-13-18-19(25-20)9-8-10-21(18)28-5;1-14(2)23(15(3)4)12-17(16-9-10-16)13-25(23)22(26)20-11-18-19(24-20)7-6-8-21(18)27-5;1-12(2)20(13(3)4)10-14(21(22,23)24)11-26(20)19(27)17-9-15-16(25-17)7-6-8-18(15)28-5;1-13(2)21(14(3)4)11-15(28(6,25)26)12-23(21)20(24)18-10-16-17(22-18)8-7-9-19(16)27-5;1-13(2)21(14(3)4)11-15(26-6)12-23(21)20(24)18-10-16-17(22-18)8-7-9-19(16)25-5;;;;;;/h6-13,16-18,21,27H,14-15H2,1-5H3;8-10,13,16-17,25H,6-7,11-12,14-15H2,1-5H3;6-8,11,14-17,24H,9-10,12-13H2,1-5H3;6-9,12-14,25H,10-11H2,1-5H3;7-10,13-15,22H,11-12H2,1-6H3;7-10,13-15,22H,11-12H2,1-6H3;6*1H4.
What are the key properties of [4-cyclopropyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;(4-methoxy-1H-indol-2-yl)-[4-methylsulfanyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-methylsulfonyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[3-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone?
[4-cyclopropyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;(4-methoxy-1H-indol-2-yl)-[4-methylsulfanyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-methylsulfonyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[3-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 2429.43 g/mol, XLogP of 33.95, 28 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[2,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;methane;(4-methoxy-1H-indol-2-yl)-[4-methylsulfanyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[4-methylsulfonyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone;(4-methoxy-1H-indol-2-yl)-[3-phenyl-2,2-di(propan-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 158754214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).