5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline

C186H272ClN15O11 — CID 159149673

IUPAC5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline
SMILESCC(C)(C)C1CC(OC(=O)N2CCc3ccccc3C2)CN1C(C)(C)C.CC(C)(C)C1CC(OC(=O)c2ccc3ccccc3c2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ccc(Cl)cn2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ccc3ccccc3c2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2cccc3ccccc23)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ccccc2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2cncc3ccccc23)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2nccc3ccccc23)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ncnc3ccccc23)CN1C(C)(C)C
InChIInChI=1S/C23H31NO2.C22H34N2O2.2C22H31NO.2C21H30N2O.C20H29N3O.C18H29NO.C17H27ClN2O/c1-22(2,3)20-14-19(15-24(20)23(4,5)6)26-21(25)18-12-11-16-9-7-8-10-17(16)13-18;1-21(2,3)19-13-18(15-24(19)22(4,5)6)26-20(25)23-12-11-16-9-7-8-10-17(16)14-23;1-21(2,3)20-14-17(15-23(20)22(4,5)6)24-19-13-9-11-16-10-7-8-12-18(16)19;1-21(2,3)20-14-19(15-23(20)22(4,5)6)24-18-12-11-16-9-7-8-10-17(16)13-18;1-20(2,3)19-11-16(14-23(19)21(4,5)6)24-18-13-22-12-15-9-7-8-10-17(15)18;1-20(2,3)18-13-16(14-23(18)21(4,5)6)24-19-17-10-8-7-9-15(17)11-12-22-19;1-19(2,3)17-11-14(12-23(17)20(4,5)6)24-18-15-9-7-8-10-16(15)21-13-22-18;1-17(2,3)16-12-15(13-19(16)18(4,5)6)20-14-10-8-7-9-11-14;1-16(2,3)14-9-13(11-20(14)17(4,5)6)21-15-8-7-12(18)10-19-15/h7-13,19-20H,14-15H2,1-6H3;7-10,18-19H,11-15H2,1-6H3;7-13,17,20H,14-15H2,1-6H3;7-13,19-20H,14-15H2,1-6H3;7-10,12-13,16,19H,11,14H2,1-6H3;7-12,16,18H,13-14H2,1-6H3;7-10,13-14,17H,11-12H2,1-6H3;7-11,15-16H,12-13H2,1-6H3;7-8,10,13-14H,9,11H2,1-6H3
InChIKeyKJCRWFOBTFKCCS-UHFFFAOYSA-N
MW2929.77 g/mol
LogP43.62
Rot. Bonds17

About 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline

5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline (PubChem CID 159149673) has the molecular formula C186H272ClN15O11 and a molecular weight of 2929.77 g/mol. Its IUPAC name is 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline.

Molecular Properties

Compound Name5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline
PubChem CID159149673
Molecular FormulaC186H272ClN15O11
Molecular Weight2929.77 g/mol
Exact Mass2927.09
IUPAC Name5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline
SMILESCC(C)(C)C1CC(OC(=O)N2CCc3ccccc3C2)CN1C(C)(C)C.CC(C)(C)C1CC(OC(=O)c2ccc3ccccc3c2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ccc(Cl)cn2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ccc3ccccc3c2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2cccc3ccccc23)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ccccc2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2cncc3ccccc23)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2nccc3ccccc23)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ncnc3ccccc23)CN1C(C)(C)C
InChIInChI=1S/C23H31NO2.C22H34N2O2.2C22H31NO.2C21H30N2O.C20H29N3O.C18H29NO.C17H27ClN2O/c1-22(2,3)20-14-19(15-24(20)23(4,5)6)26-21(25)18-12-11-16-9-7-8-10-17(16)13-18;1-21(2,3)19-13-18(15-24(19)22(4,5)6)26-20(25)23-12-11-16-9-7-8-10-17(16)14-23;1-21(2,3)20-14-17(15-23(20)22(4,5)6)24-19-13-9-11-16-10-7-8-12-18(16)19;1-21(2,3)20-14-19(15-23(20)22(4,5)6)24-18-12-11-16-9-7-8-10-17(16)13-18;1-20(2,3)19-11-16(14-23(19)21(4,5)6)24-18-13-22-12-15-9-7-8-10-17(15)18;1-20(2,3)18-13-16(14-23(18)21(4,5)6)24-19-17-10-8-7-9-15(17)11-12-22-19;1-19(2,3)17-11-14(12-23(17)20(4,5)6)24-18-15-9-7-8-10-16(15)21-13-22-18;1-17(2,3)16-12-15(13-19(16)18(4,5)6)20-14-10-8-7-9-11-14;1-16(2,3)14-9-13(11-20(14)17(4,5)6)21-15-8-7-12(18)10-19-15/h7-13,19-20H,14-15H2,1-6H3;7-10,18-19H,11-15H2,1-6H3;7-13,17,20H,14-15H2,1-6H3;7-13,19-20H,14-15H2,1-6H3;7-10,12-13,16,19H,11,14H2,1-6H3;7-12,16,18H,13-14H2,1-6H3;7-10,13-14,17H,11-12H2,1-6H3;7-11,15-16H,12-13H2,1-6H3;7-8,10,13-14H,9,11H2,1-6H3
InChIKeyKJCRWFOBTFKCCS-UHFFFAOYSA-N
XLogP43.62
TPSA214.06 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002929.77
LogP ≤ 543.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline with MolForge

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Launch Full Analysis

Related Compounds

1-[1-Tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 158604428
5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinoline
CID 158620510
1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline
CID 158979996
1-[4-[(5-Chloro-2-pyridinyl)oxy]-1-methylpyrrolidin-2-yl]ethanone;1-(5-cyclohexyl-1-methylpyrrolidin-2-yl)ethanone;1-(1,5-dimethylpyrrolidin-2-yl)ethanone;1-(3-ethyl-1,4-dimethylpyrrolidin-2-yl)ethanone;1-(4-ethyl-1,3-dimethylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-1-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-2-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-5-phenylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-quinazolin-4-yloxypyrrolidin-2-yl)ethanone;1-(1,3,4-trimethylpyrrolidin-2-yl)ethanone
CID 159818045
4-Carbazol-9-yl-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;5-(3-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-4,6-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;4-(3-phenylcarbazol-9-yl)-8-oxa-3,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 159938064
(7S)-14-methyl-15-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-3,9-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),8,11,13,15,17-hexaen-2-one
CID 159969813
[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[1-tert-butyl-5-(2,2-dimethylpropanoyl)pyrrolidin-3-yl] naphthalene-2-carboxylate;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 160029905
5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline
CID 160159573
(5-acetyl-1-methylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;1-[4-[(5-chloro-2-pyridinyl)oxy]-1-methylpyrrolidin-2-yl]ethanone;1-(1,5-dimethylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-1-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-2-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-4-phenoxypyrrolidin-2-yl)ethanone;1-(1-methyl-4-phenylpyrrolidin-2-yl)ethanone;1-(1-methyl-5-phenylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-quinazolin-4-yloxypyrrolidin-2-yl)ethanone
CID 160260886
5-acetyl-1-methylpyrrolidine-3-carbonitrile;(5-acetyl-1-methylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(5-acetyl-1-methylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(3-butan-2-yl-1-methylpyrrolidin-2-yl)ethanone;1-[4-[(5-chloro-2-pyridinyl)oxy]-1-methylpyrrolidin-2-yl]ethanone;1-(3-cyclohexyl-1-methylpyrrolidin-2-yl)ethanone;1-(1,3-dimethylpyrrolidin-2-yl)ethanone;1-(3-ethyl-1-methylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-1-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-2-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-4-phenoxypyrrolidin-2-yl)ethanone;1-(1-methyl-4-phenylpyrrolidin-2-yl)ethanone;1-(1-methyl-3-propan-2-ylpyrrolidin-2-yl)ethanone;1-(1-methyl-3-prop-2-enylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-quinazolin-4-yloxypyrrolidin-2-yl)ethanone
CID 160514690
CID 160606550
CID 160606550
1-[4-[(5-Chloro-2-pyridinyl)oxy]-1-methylpyrrolidin-2-yl]ethanone;1-(5-cyclohexyl-1-methylpyrrolidin-2-yl)ethanone;1-(1,5-dimethylpyrrolidin-2-yl)ethanone;1-(4-ethyl-1,3-dimethylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-1-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-4-naphthalen-2-yloxypyrrolidin-2-yl)ethanone;1-(1-methyl-5-phenylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-quinazolin-4-yloxypyrrolidin-2-yl)ethanone;1-(1,3,4-trimethylpyrrolidin-2-yl)ethanone
CID 160712586

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline?
The IUPAC name of 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline (CID 159149673) is 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline.
What is the SMILES notation for 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline?
The canonical SMILES for 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline is CC(C)(C)C1CC(OC(=O)N2CCc3ccccc3C2)CN1C(C)(C)C.CC(C)(C)C1CC(OC(=O)c2ccc3ccccc3c2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ccc(Cl)cn2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ccc3ccccc3c2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2cccc3ccccc23)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ccccc2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2cncc3ccccc23)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2nccc3ccccc23)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ncnc3ccccc23)CN1C(C)(C)C.
What is the InChIKey of 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline?
The InChIKey is KJCRWFOBTFKCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2.C22H34N2O2.2C22H31NO.2C21H30N2O.C20H29N3O.C18H29NO.C17H27ClN2O/c1-22(2,3)20-14-19(15-24(20)23(4,5)6)26-21(25)18-12-11-16-9-7-8-10-17(16)13-18;1-21(2,3)19-13-18(15-24(19)22(4,5)6)26-20(25)23-12-11-16-9-7-8-10-17(16)14-23;1-21(2,3)20-14-17(15-23(20)22(4,5)6)24-19-13-9-11-16-10-7-8-12-18(16)19;1-21(2,3)20-14-19(15-23(20)22(4,5)6)24-18-12-11-16-9-7-8-10-17(16)13-18;1-20(2,3)19-11-16(14-23(19)21(4,5)6)24-18-13-22-12-15-9-7-8-10-17(15)18;1-20(2,3)18-13-16(14-23(18)21(4,5)6)24-19-17-10-8-7-9-15(17)11-12-22-19;1-19(2,3)17-11-14(12-23(17)20(4,5)6)24-18-15-9-7-8-10-16(15)21-13-22-18;1-17(2,3)16-12-15(13-19(16)18(4,5)6)20-14-10-8-7-9-11-14;1-16(2,3)14-9-13(11-20(14)17(4,5)6)21-15-8-7-12(18)10-19-15/h7-13,19-20H,14-15H2,1-6H3;7-10,18-19H,11-15H2,1-6H3;7-13,17,20H,14-15H2,1-6H3;7-13,19-20H,14-15H2,1-6H3;7-10,12-13,16,19H,11,14H2,1-6H3;7-12,16,18H,13-14H2,1-6H3;7-10,13-14,17H,11-12H2,1-6H3;7-11,15-16H,12-13H2,1-6H3;7-8,10,13-14H,9,11H2,1-6H3.
What are the key properties of 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline?
5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline has a molecular weight of 2929.77 g/mol, XLogP of 43.62, 17 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;1,2-ditert-butyl-4-naphthalen-1-yloxypyrrolidine;1,2-ditert-butyl-4-naphthalen-2-yloxypyrrolidine;1,2-ditert-butyl-4-phenoxypyrrolidine;(1,5-ditert-butylpyrrolidin-3-yl) 3,4-dihydro-1H-isoquinoline-2-carboxylate;(1,5-ditert-butylpyrrolidin-3-yl) naphthalene-2-carboxylate;1-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline is sourced from PubChem (CID 159149673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).