tert-butyl 2-(4-methoxy-1H-indole-2-carbonyl)-3,3-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxylate;(E)-3-(4-chloro-2-fluorophenyl)-1-[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]prop-2-en-1-one;(3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(7,7-dimethyl-6-azaspiro[2.5]octan-6-yl)-(4-methoxy-1H-indol-2-yl)methanone;(6,6-dimethyldiazinan-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane

C144H231ClFN13O15 — CID 167634314

IUPACtert-butyl 2-(4-methoxy-1H-indole-2-carbonyl)-3,3-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxylate;(E)-3-(4-chloro-2-fluorophenyl)-1-[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]prop-2-en-1-one;(3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(7,7-dimethyl-6-azaspiro[2.5]octan-6-yl)-(4-methoxy-1H-indol-2-yl)methanone;(6,6-dimethyldiazinan-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)OC1CN(C(=O)/C=C/c2ccc(Cl)cc2F)C(C)(C)C1.COc1cccc2[nH]c(C(=O)N3CC4(CCCCC4)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CCN(C(=O)OC(C)(C)C)CC4)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CCOCC4)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CCC4(CC4)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3NCCCC3(C)C)cc12
InChIInChI=1S/C25H35N3O4.C21H28N2O2.C20H26N2O3.C19H25ClFNO2.C19H24N2O2.C16H21N3O2.12C2H6/c1-23(2,3)32-22(30)27-12-10-25(11-13-27)15-24(4,5)28(16-25)21(29)19-14-17-18(26-19)8-7-9-20(17)31-6;1-20(2)13-21(10-5-4-6-11-21)14-23(20)19(24)17-12-15-16(22-17)8-7-9-18(15)25-3;1-19(2)12-20(7-9-25-10-8-20)13-22(19)18(23)16-11-14-15(21-16)5-4-6-17(14)24-3;1-18(2,3)24-15-11-19(4,5)22(12-15)17(23)9-7-13-6-8-14(20)10-16(13)21;1-18(2)12-19(7-8-19)9-10-21(18)17(22)15-11-13-14(20-15)5-4-6-16(13)23-3;1-16(2)8-5-9-17-19(16)15(20)13-10-11-12(18-13)6-4-7-14(11)21-3;12*1-2/h7-9,14,26H,10-13,15-16H2,1-6H3;7-9,12,22H,4-6,10-11,13-14H2,1-3H3;4-6,11,21H,7-10,12-13H2,1-3H3;6-10,15H,11-12H2,1-5H3;4-6,11,20H,7-10,12H2,1-3H3;4,6-7,10,17-18H,5,8-9H2,1-3H3;12*1-2H3/b;;;9-7+;;;;;;;;;;;;;;
InChIKeyOGGVHJMPTWJAHC-NJKQJEKISA-N
MW2438.96 g/mol
LogP36.84
Rot. Bonds13

About tert-butyl 2-(4-methoxy-1H-indole-2-carbonyl)-3,3-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxylate;(E)-3-(4-chloro-2-fluorophenyl)-1-[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]prop-2-en-1-one;(3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(7,7-dimethyl-6-azaspiro[2.5]octan-6-yl)-(4-methoxy-1H-indol-2-yl)methanone;(6,6-dimethyldiazinan-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane

tert-butyl 2-(4-methoxy-1H-indole-2-carbonyl)-3,3-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxylate;(E)-3-(4-chloro-2-fluorophenyl)-1-[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]prop-2-en-1-one;(3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(7,7-dimethyl-6-azaspiro[2.5]octan-6-yl)-(4-methoxy-1H-indol-2-yl)methanone;(6,6-dimethyldiazinan-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane (PubChem CID 167634314) has the molecular formula C144H231ClFN13O15 and a molecular weight of 2438.96 g/mol. Its IUPAC name is tert-butyl 2-(4-methoxy-1H-indole-2-carbonyl)-3,3-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxylate;(E)-3-(4-chloro-2-fluorophenyl)-1-[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]prop-2-en-1-one;(3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(7,7-dimethyl-6-azaspiro[2.5]octan-6-yl)-(4-methoxy-1H-indol-2-yl)methanone;(6,6-dimethyldiazinan-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane.

Molecular Properties

Compound Nametert-butyl 2-(4-methoxy-1H-indole-2-carbonyl)-3,3-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxylate;(E)-3-(4-chloro-2-fluorophenyl)-1-[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]prop-2-en-1-one;(3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(7,7-dimethyl-6-azaspiro[2.5]octan-6-yl)-(4-methoxy-1H-indol-2-yl)methanone;(6,6-dimethyldiazinan-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane
PubChem CID167634314
Molecular FormulaC144H231ClFN13O15
Molecular Weight2438.96 g/mol
Exact Mass2436.74
IUPAC Nametert-butyl 2-(4-methoxy-1H-indole-2-carbonyl)-3,3-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxylate;(E)-3-(4-chloro-2-fluorophenyl)-1-[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]prop-2-en-1-one;(3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(7,7-dimethyl-6-azaspiro[2.5]octan-6-yl)-(4-methoxy-1H-indol-2-yl)methanone;(6,6-dimethyldiazinan-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)OC1CN(C(=O)/C=C/c2ccc(Cl)cc2F)C(C)(C)C1.COc1cccc2[nH]c(C(=O)N3CC4(CCCCC4)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CCN(C(=O)OC(C)(C)C)CC4)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CCOCC4)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CCC4(CC4)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3NCCCC3(C)C)cc12
InChIInChI=1S/C25H35N3O4.C21H28N2O2.C20H26N2O3.C19H25ClFNO2.C19H24N2O2.C16H21N3O2.12C2H6/c1-23(2,3)32-22(30)27-12-10-25(11-13-27)15-24(4,5)28(16-25)21(29)19-14-17-18(26-19)8-7-9-20(17)31-6;1-20(2)13-21(10-5-4-6-11-21)14-23(20)19(24)17-12-15-16(22-17)8-7-9-18(15)25-3;1-19(2)12-20(7-9-25-10-8-20)13-22(19)18(23)16-11-14-15(21-16)5-4-6-17(14)24-3;1-18(2,3)24-15-11-19(4,5)22(12-15)17(23)9-7-13-6-8-14(20)10-16(13)21;1-18(2)12-19(7-8-19)9-10-21(18)17(22)15-11-13-14(20-15)5-4-6-16(13)23-3;1-16(2)8-5-9-17-19(16)15(20)13-10-11-12(18-13)6-4-7-14(11)21-3;12*1-2/h7-9,14,26H,10-13,15-16H2,1-6H3;7-9,12,22H,4-6,10-11,13-14H2,1-3H3;4-6,11,21H,7-10,12-13H2,1-3H3;6-10,15H,11-12H2,1-5H3;4-6,11,20H,7-10,12H2,1-3H3;4,6-7,10,17-18H,5,8-9H2,1-3H3;12*1-2H3/b;;;9-7+;;;;;;;;;;;;;;
InChIKeyOGGVHJMPTWJAHC-NJKQJEKISA-N
XLogP36.84
TPSA306.99 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002438.96
LogP ≤ 536.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl 2-(4-methoxy-1H-indole-2-carbonyl)-3,3-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxylate;(E)-3-(4-chloro-2-fluorophenyl)-1-[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]prop-2-en-1-one;(3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(7,7-dimethyl-6-azaspiro[2.5]octan-6-yl)-(4-methoxy-1H-indol-2-yl)methanone;(6,6-dimethyldiazinan-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-methoxy-1H-indole-2-carbonyl)-3,3-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxylate;(E)-3-(4-chloro-2-fluorophenyl)-1-[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]prop-2-en-1-one;(3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(7,7-dimethyl-6-azaspiro[2.5]octan-6-yl)-(4-methoxy-1H-indol-2-yl)methanone;(6,6-dimethyldiazinan-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane?
The IUPAC name of tert-butyl 2-(4-methoxy-1H-indole-2-carbonyl)-3,3-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxylate;(E)-3-(4-chloro-2-fluorophenyl)-1-[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]prop-2-en-1-one;(3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(7,7-dimethyl-6-azaspiro[2.5]octan-6-yl)-(4-methoxy-1H-indol-2-yl)methanone;(6,6-dimethyldiazinan-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane (CID 167634314) is tert-butyl 2-(4-methoxy-1H-indole-2-carbonyl)-3,3-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxylate;(E)-3-(4-chloro-2-fluorophenyl)-1-[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]prop-2-en-1-one;(3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(7,7-dimethyl-6-azaspiro[2.5]octan-6-yl)-(4-methoxy-1H-indol-2-yl)methanone;(6,6-dimethyldiazinan-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane.
What is the SMILES notation for tert-butyl 2-(4-methoxy-1H-indole-2-carbonyl)-3,3-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxylate;(E)-3-(4-chloro-2-fluorophenyl)-1-[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]prop-2-en-1-one;(3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(7,7-dimethyl-6-azaspiro[2.5]octan-6-yl)-(4-methoxy-1H-indol-2-yl)methanone;(6,6-dimethyldiazinan-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane?
The canonical SMILES for tert-butyl 2-(4-methoxy-1H-indole-2-carbonyl)-3,3-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxylate;(E)-3-(4-chloro-2-fluorophenyl)-1-[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]prop-2-en-1-one;(3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(7,7-dimethyl-6-azaspiro[2.5]octan-6-yl)-(4-methoxy-1H-indol-2-yl)methanone;(6,6-dimethyldiazinan-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)OC1CN(C(=O)/C=C/c2ccc(Cl)cc2F)C(C)(C)C1.COc1cccc2[nH]c(C(=O)N3CC4(CCCCC4)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CCN(C(=O)OC(C)(C)C)CC4)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CCOCC4)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CCC4(CC4)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3NCCCC3(C)C)cc12.
What is the InChIKey of tert-butyl 2-(4-methoxy-1H-indole-2-carbonyl)-3,3-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxylate;(E)-3-(4-chloro-2-fluorophenyl)-1-[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]prop-2-en-1-one;(3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(7,7-dimethyl-6-azaspiro[2.5]octan-6-yl)-(4-methoxy-1H-indol-2-yl)methanone;(6,6-dimethyldiazinan-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane?
The InChIKey is OGGVHJMPTWJAHC-NJKQJEKISA-N. The full InChI is InChI=1S/C25H35N3O4.C21H28N2O2.C20H26N2O3.C19H25ClFNO2.C19H24N2O2.C16H21N3O2.12C2H6/c1-23(2,3)32-22(30)27-12-10-25(11-13-27)15-24(4,5)28(16-25)21(29)19-14-17-18(26-19)8-7-9-20(17)31-6;1-20(2)13-21(10-5-4-6-11-21)14-23(20)19(24)17-12-15-16(22-17)8-7-9-18(15)25-3;1-19(2)12-20(7-9-25-10-8-20)13-22(19)18(23)16-11-14-15(21-16)5-4-6-17(14)24-3;1-18(2,3)24-15-11-19(4,5)22(12-15)17(23)9-7-13-6-8-14(20)10-16(13)21;1-18(2)12-19(7-8-19)9-10-21(18)17(22)15-11-13-14(20-15)5-4-6-16(13)23-3;1-16(2)8-5-9-17-19(16)15(20)13-10-11-12(18-13)6-4-7-14(11)21-3;12*1-2/h7-9,14,26H,10-13,15-16H2,1-6H3;7-9,12,22H,4-6,10-11,13-14H2,1-3H3;4-6,11,21H,7-10,12-13H2,1-3H3;6-10,15H,11-12H2,1-5H3;4-6,11,20H,7-10,12H2,1-3H3;4,6-7,10,17-18H,5,8-9H2,1-3H3;12*1-2H3/b;;;9-7+;;;;;;;;;;;;;;.
What are the key properties of tert-butyl 2-(4-methoxy-1H-indole-2-carbonyl)-3,3-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxylate;(E)-3-(4-chloro-2-fluorophenyl)-1-[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]prop-2-en-1-one;(3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(7,7-dimethyl-6-azaspiro[2.5]octan-6-yl)-(4-methoxy-1H-indol-2-yl)methanone;(6,6-dimethyldiazinan-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane?
tert-butyl 2-(4-methoxy-1H-indole-2-carbonyl)-3,3-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxylate;(E)-3-(4-chloro-2-fluorophenyl)-1-[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]prop-2-en-1-one;(3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(7,7-dimethyl-6-azaspiro[2.5]octan-6-yl)-(4-methoxy-1H-indol-2-yl)methanone;(6,6-dimethyldiazinan-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane has a molecular weight of 2438.96 g/mol, XLogP of 36.84, 13 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-methoxy-1H-indole-2-carbonyl)-3,3-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxylate;(E)-3-(4-chloro-2-fluorophenyl)-1-[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]prop-2-en-1-one;(3,3-dimethyl-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;(7,7-dimethyl-6-azaspiro[2.5]octan-6-yl)-(4-methoxy-1H-indol-2-yl)methanone;(6,6-dimethyldiazinan-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(3,3-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-(4-methoxy-1H-indol-2-yl)methanone;ethane is sourced from PubChem (CID 167634314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).