3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;(3S)-1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-isoindole

C106H122N18O8 — CID 158495290

IUPAC3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;(3S)-1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-isoindole
SMILESCC(C)Oc1ccc2c(c1)C(c1ccnc(N3C4CCCC3CC4)c1)=NC2.CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CC(n4cnnc4)C3)c1)=NC2.CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CC[C@H](O)C3)c1)=NC2.CO[C@@H]1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ccn2)C1.CO[C@H]1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ccn2)C1
InChIInChI=1S/C23H27N3O.C21H22N6O.2C21H25N3O2.C20H23N3O2/c1-15(2)27-20-9-6-17-14-25-23(21(17)13-20)16-10-11-24-22(12-16)26-18-4-3-5-19(26)8-7-18;1-14(2)28-18-4-3-16-9-23-21(19(16)8-18)15-5-6-22-20(7-15)26-10-17(11-26)27-12-24-25-13-27;2*1-14(2)26-17-5-4-16-12-23-21(19(16)11-17)15-6-8-22-20(10-15)24-9-7-18(13-24)25-3;1-13(2)25-17-4-3-15-11-22-20(18(15)10-17)14-5-7-21-19(9-14)23-8-6-16(24)12-23/h6,9-13,15,18-19H,3-5,7-8,14H2,1-2H3;3-8,12-14,17H,9-11H2,1-2H3;2*4-6,8,10-11,14,18H,7,9,12-13H2,1-3H3;3-5,7,9-10,13,16,24H,6,8,11-12H2,1-2H3/t;;2*18-;16-/m..100/s1
InChIKeyHJFAKAMJCZEYLK-ITJOHLTRSA-N
MW1776.26 g/mol
LogP17.29
Rot. Bonds23

About 3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;(3S)-1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-isoindole

3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;(3S)-1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-isoindole (PubChem CID 158495290) has the molecular formula C106H122N18O8 and a molecular weight of 1776.26 g/mol. Its IUPAC name is 3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;(3S)-1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-isoindole.

Molecular Properties

Compound Name3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;(3S)-1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-isoindole
PubChem CID158495290
Molecular FormulaC106H122N18O8
Molecular Weight1776.26 g/mol
Exact Mass1774.97
IUPAC Name3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;(3S)-1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-isoindole
SMILESCC(C)Oc1ccc2c(c1)C(c1ccnc(N3C4CCCC3CC4)c1)=NC2.CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CC(n4cnnc4)C3)c1)=NC2.CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CC[C@H](O)C3)c1)=NC2.CO[C@@H]1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ccn2)C1.CO[C@H]1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ccn2)C1
InChIInChI=1S/C23H27N3O.C21H22N6O.2C21H25N3O2.C20H23N3O2/c1-15(2)27-20-9-6-17-14-25-23(21(17)13-20)16-10-11-24-22(12-16)26-18-4-3-5-19(26)8-7-18;1-14(2)28-18-4-3-16-9-23-21(19(16)8-18)15-5-6-22-20(7-15)26-10-17(11-26)27-12-24-25-13-27;2*1-14(2)26-17-5-4-16-12-23-21(19(16)11-17)15-6-8-22-20(10-15)24-9-7-18(13-24)25-3;1-13(2)25-17-4-3-15-11-22-20(18(15)10-17)14-5-7-21-19(9-14)23-8-6-16(24)12-23/h6,9-13,15,18-19H,3-5,7-8,14H2,1-2H3;3-8,12-14,17H,9-11H2,1-2H3;2*4-6,8,10-11,14,18H,7,9,12-13H2,1-3H3;3-5,7,9-10,13,16,24H,6,8,11-12H2,1-2H3/t;;2*18-;16-/m..100/s1
InChIKeyHJFAKAMJCZEYLK-ITJOHLTRSA-N
XLogP17.29
TPSA258.00 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001776.26
LogP ≤ 517.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;(3S)-1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-isoindole with MolForge

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Related Compounds

2-cyclopropyl-7-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;(1S,4S)-5-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane;1-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol;5-(1-methylcyclopropyl)oxy-3-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole
CID 157935057
3-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;(3S,4S)-4-methoxy-1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;3-[2-(3-pyrazol-1-ylazetidin-1-yl)-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;3-[2-(4-pyrazol-1-ylpiperidin-1-yl)-4-pyridinyl]-5-(trifluoromethoxy)-1H-isoindole;4-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]-1,4-thiazinane 1-oxide
CID 161085793
5-cyclopropyloxy-3-[2-(3,3-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole;5-cyclopropyloxy-3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1H-isoindole;7-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;(3S)-1-[4-(6-cyclopropyloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-cyclopropyloxy-3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole
CID 161220829
3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[2-(azetidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;3-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile;3-(2-piperidin-1-yl-4-pyridinyl)-5-(trifluoromethoxy)-1H-isoindole;1-[4-[6-(trifluoromethoxy)-3H-isoindol-1-yl]-2-pyridinyl]piperidin-4-ol
CID 161767533
3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-ethoxy-1H-isoindole;7-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;1-[4-(6-ethoxy-3H-isoindol-1-yl)-2-pyridinyl]-3-phenylpyrrolidine-3-carbonitrile;5-ethoxy-3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole;5-ethoxy-3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-1H-isoindole
CID 161772179
3-[6-[3-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(3-imidazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;2-[1-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-3-yl]propan-2-ol;1-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)piperidin-4-ol;5-propan-2-yloxy-3-[6-(4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 162030238
CID 163633635
CID 163633635
(9S)-3,16-dimethyl-7,13,16,20,21,24-hexazapentacyclo[15.5.2.12,6.09,13.020,23]pentacosa-1(23),2,4,6(25),17(24),18,21-heptaene;(9S)-3,17-dimethyl-7-oxa-14,17,21,22,25-pentazapentacyclo[16.5.2.12,6.09,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene;(9S)-3-methyl-7-oxa-11,14,17,21,22,25-hexazapentacyclo[16.5.2.12,6.09,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene;3-methyl-7-oxa-13,16,20,21,24-pentazapentacyclo[15.5.2.12,6.18,13.020,23]hexacosa-1(23),2,4,6(26),17(24),18,21-heptaene;(9S)-3-methyl-7-oxa-14,17,21,22,25-pentazapentacyclo[16.5.2.12,6.09,14.021,24]hexacosa-1(24),2,4,6(26),18(25),19,22-heptaene
CID 157604843
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrrolo[2,3-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpyrrolidin-3-yl)oxypropan-2-ol;1-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-[1-(phenoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
CID 157690166
N,N-diethyl-2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethanamine;2-methyl-6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;6-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 157841785
3-Cyclopenta-1,4-dien-1-yl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine;methane;3-(4-methylphenyl)-6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidine;6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;bis(3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine);6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 157912964
N,N-dimethyl-1-[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenoxy]propan-2-amine;4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-[4-(2-piperidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenol
CID 157991409

Frequently Asked Questions

What is the IUPAC name of 3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;(3S)-1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-isoindole?
The IUPAC name of 3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;(3S)-1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-isoindole (CID 158495290) is 3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;(3S)-1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-isoindole.
What is the SMILES notation for 3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;(3S)-1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-isoindole?
The canonical SMILES for 3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;(3S)-1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-isoindole is CC(C)Oc1ccc2c(c1)C(c1ccnc(N3C4CCCC3CC4)c1)=NC2.CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CC(n4cnnc4)C3)c1)=NC2.CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CC[C@H](O)C3)c1)=NC2.CO[C@@H]1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ccn2)C1.CO[C@H]1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ccn2)C1.
What is the InChIKey of 3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;(3S)-1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-isoindole?
The InChIKey is HJFAKAMJCZEYLK-ITJOHLTRSA-N. The full InChI is InChI=1S/C23H27N3O.C21H22N6O.2C21H25N3O2.C20H23N3O2/c1-15(2)27-20-9-6-17-14-25-23(21(17)13-20)16-10-11-24-22(12-16)26-18-4-3-5-19(26)8-7-18;1-14(2)28-18-4-3-16-9-23-21(19(16)8-18)15-5-6-22-20(7-15)26-10-17(11-26)27-12-24-25-13-27;2*1-14(2)26-17-5-4-16-12-23-21(19(16)11-17)15-6-8-22-20(10-15)24-9-7-18(13-24)25-3;1-13(2)25-17-4-3-15-11-22-20(18(15)10-17)14-5-7-21-19(9-14)23-8-6-16(24)12-23/h6,9-13,15,18-19H,3-5,7-8,14H2,1-2H3;3-8,12-14,17H,9-11H2,1-2H3;2*4-6,8,10-11,14,18H,7,9,12-13H2,1-3H3;3-5,7,9-10,13,16,24H,6,8,11-12H2,1-2H3/t;;2*18-;16-/m..100/s1.
What are the key properties of 3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;(3S)-1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-isoindole?
3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;(3S)-1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-isoindole has a molecular weight of 1776.26 g/mol, XLogP of 17.29, 23 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-[(3R)-3-methoxypyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;(3S)-1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-3-ol;5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-isoindole is sourced from PubChem (CID 158495290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).