[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-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;(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

C136H185F3N12O14S2 — CID 163530446

IUPAC[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-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;(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
SMILESCOc1cccc2[nH]c(C(=O)N3CC(C(F)(F)F)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(CCC4)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/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;1-15(2)23(16(3)4)13-22(10-7-11-22)14-25(23)21(26)19-12-17-18(24-19)8-6-9-20(17)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;6,8-9,12,15-16,24H,7,10-11,13-14H2,1-5H3;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
InChIKeyDSNKKFSJRVFFFX-UHFFFAOYSA-N
MW2333.17 g/mol
LogP30.28
Rot. Bonds27

About [3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-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;(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

[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-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;(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 163530446) has the molecular formula C136H185F3N12O14S2 and a molecular weight of 2333.17 g/mol. Its IUPAC name is [3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-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;(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[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-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;(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 CID163530446
Molecular FormulaC136H185F3N12O14S2
Molecular Weight2333.17 g/mol
Exact Mass2331.35
IUPAC Name[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-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;(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
SMILESCOc1cccc2[nH]c(C(=O)N3CC(C(F)(F)F)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(CCC4)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/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;1-15(2)23(16(3)4)13-22(10-7-11-22)14-25(23)21(26)19-12-17-18(24-19)8-6-9-20(17)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;6,8-9,12,15-16,24H,7,10-11,13-14H2,1-5H3;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
InChIKeyDSNKKFSJRVFFFX-UHFFFAOYSA-N
XLogP30.28
TPSA306.12 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002333.17
LogP ≤ 530.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze [3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-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;(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 [3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-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;(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 [3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-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;(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 163530446) is [3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-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;(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 [3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-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;(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 [3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-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;(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 COc1cccc2[nH]c(C(=O)N3CC(C(F)(F)F)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(CCC4)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 [3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-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;(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 DSNKKFSJRVFFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2.C24H34N2O2.C23H32N2O2.C21H27F3N2O2.C21H30N2O4S.C21H30N2O2S/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;1-15(2)23(16(3)4)13-22(10-7-11-22)14-25(23)21(26)19-12-17-18(24-19)8-6-9-20(17)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;6,8-9,12,15-16,24H,7,10-11,13-14H2,1-5H3;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.
What are the key properties of [3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-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;(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?
[3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-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;(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 2333.17 g/mol, XLogP of 30.28, 27 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-di(propan-2-yl)-2-azaspiro[4.4]nonan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone;[7,7-di(propan-2-yl)-6-azaspiro[3.4]octan-6-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;(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 163530446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).