3-[6-[4-(1-cyclopropylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3S)-4-(furan-2-ylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole

C97H115F3N20O5 — CID 157351902

IUPAC3-[6-[4-(1-cyclopropylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3S)-4-(furan-2-ylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole
SMILESCC(CC1CC1)N1CCN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CC1.CC1(Oc2ccc3c(c2)C(c2cc(N4CCN(CCC(F)(F)F)CC4)ncn2)=NC3)CC1.CCN1CCN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CC1.C[C@H]1CN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CCN1Cc1ccco1
InChIInChI=1S/C26H29N5O2.C26H33N5O.C23H26F3N5O.C22H27N5O/c1-18-15-31(10-9-30(18)16-21-4-3-11-32-21)24-13-23(28-17-29-24)25-22-12-20(33-26(2)7-8-26)6-5-19(22)14-27-25;1-18(13-19-3-4-19)30-9-11-31(12-10-30)24-15-23(28-17-29-24)25-22-14-21(32-26(2)7-8-26)6-5-20(22)16-27-25;1-22(4-5-22)32-17-3-2-16-14-27-21(18(16)12-17)19-13-20(29-15-28-19)31-10-8-30(9-11-31)7-6-23(24,25)26;1-3-26-8-10-27(11-9-26)20-13-19(24-15-25-20)21-18-12-17(28-22(2)6-7-22)5-4-16(18)14-23-21/h3-6,11-13,17-18H,7-10,14-16H2,1-2H3;5-6,14-15,17-19H,3-4,7-13,16H2,1-2H3;2-3,12-13,15H,4-11,14H2,1H3;4-5,12-13,15H,3,6-11,14H2,1-2H3/t18-;;;/m0.../s1
InChIKeyBHQCEPFZECDRTA-LPECGTQYSA-N
MW1698.12 g/mol
LogP14.87
Rot. Bonds24

About 3-[6-[4-(1-cyclopropylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3S)-4-(furan-2-ylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole

3-[6-[4-(1-cyclopropylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3S)-4-(furan-2-ylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole (PubChem CID 157351902) has the molecular formula C97H115F3N20O5 and a molecular weight of 1698.12 g/mol. Its IUPAC name is 3-[6-[4-(1-cyclopropylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3S)-4-(furan-2-ylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole.

Molecular Properties

Compound Name3-[6-[4-(1-cyclopropylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3S)-4-(furan-2-ylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole
PubChem CID157351902
Molecular FormulaC97H115F3N20O5
Molecular Weight1698.12 g/mol
Exact Mass1696.93
IUPAC Name3-[6-[4-(1-cyclopropylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3S)-4-(furan-2-ylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole
SMILESCC(CC1CC1)N1CCN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CC1.CC1(Oc2ccc3c(c2)C(c2cc(N4CCN(CCC(F)(F)F)CC4)ncn2)=NC3)CC1.CCN1CCN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CC1.C[C@H]1CN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CCN1Cc1ccco1
InChIInChI=1S/C26H29N5O2.C26H33N5O.C23H26F3N5O.C22H27N5O/c1-18-15-31(10-9-30(18)16-21-4-3-11-32-21)24-13-23(28-17-29-24)25-22-12-20(33-26(2)7-8-26)6-5-19(22)14-27-25;1-18(13-19-3-4-19)30-9-11-31(12-10-30)24-15-23(28-17-29-24)25-22-14-21(32-26(2)7-8-26)6-5-20(22)16-27-25;1-22(4-5-22)32-17-3-2-16-14-27-21(18(16)12-17)19-13-20(29-15-28-19)31-10-8-30(9-11-31)7-6-23(24,25)26;1-3-26-8-10-27(11-9-26)20-13-19(24-15-25-20)21-18-12-17(28-22(2)6-7-22)5-4-16(18)14-23-21/h3-6,11-13,17-18H,7-10,14-16H2,1-2H3;5-6,14-15,17-19H,3-4,7-13,16H2,1-2H3;2-3,12-13,15H,4-11,14H2,1H3;4-5,12-13,15H,3,6-11,14H2,1-2H3/t18-;;;/m0.../s1
InChIKeyBHQCEPFZECDRTA-LPECGTQYSA-N
XLogP14.87
TPSA228.54 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001698.12
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 3-[6-[4-(1-cyclopropylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3S)-4-(furan-2-ylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole with MolForge

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Related Compounds

3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;2-(methoxymethyl)-4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(3S,5R)-4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3,5-dimethylmorpholine;(3S)-4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3-methylmorpholine
CID 157507598
3-[6-[(3R)-4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrimidin-4-yl]-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole;4-[[(2R)-2-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-oxazole
CID 157565666
3-[6-[(3R)-4-(1-cyclopropylpropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-4-(1,1-difluoropropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-4-(1-methoxypropan-2-yl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[(3R)-3-methyl-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole
CID 160334125
3-[6-[(3S)-4-(furan-2-ylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole
CID 147610896
3-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole
CID 148989723
3-[6-(2,4-dimethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;N-(2-methoxyethyl)-N-methyl-6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-amine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-propan-2-ylpiperazin-2-one;3-methyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 157098395
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[4-(2-fluoroethyl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;2,2,3,3,5,5,6,6-octadeuterio-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 157245089
3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3S)-3-fluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3R)-3-fluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;furan-2-yl-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone;5-propan-2-yloxy-3-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole;N-propan-2-yl-2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide
CID 157252412
(2R,6S)-4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine;(2S)-4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;(2R)-4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 157413623
1-ethyl-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(2-methoxyethoxy)-1H-isoindole;(2R)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;(2S)-4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;4-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;3-[6-[6-(2-methoxyethoxy)-3H-isoindol-1-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 157416513
1-cyclohexyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one;(3R,5R)-3,5-dimethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;2-(methoxymethyl)-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3-(2-methylpropyl)morpholine;8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 157460881
N-[2-(dimethylamino)ethyl]-2-[(3Z)-6-fluoro-3-(furan-2-ylmethylidene)-2-methylinden-1-yl]acetamide;N-[2-(dimethylamino)ethyl]-2-[(3Z)-6-methoxy-2-methyl-3-(pyridin-4-ylmethylidene)inden-1-yl]acetamide;2-[(3Z)-3-[[6-(dimethylamino)-3-pyridinyl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide;2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 157653539

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(1-cyclopropylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3S)-4-(furan-2-ylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole?
The IUPAC name of 3-[6-[4-(1-cyclopropylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3S)-4-(furan-2-ylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole (CID 157351902) is 3-[6-[4-(1-cyclopropylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3S)-4-(furan-2-ylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole.
What is the SMILES notation for 3-[6-[4-(1-cyclopropylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3S)-4-(furan-2-ylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole?
The canonical SMILES for 3-[6-[4-(1-cyclopropylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3S)-4-(furan-2-ylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole is CC(CC1CC1)N1CCN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CC1.CC1(Oc2ccc3c(c2)C(c2cc(N4CCN(CCC(F)(F)F)CC4)ncn2)=NC3)CC1.CCN1CCN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CC1.C[C@H]1CN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CCN1Cc1ccco1.
What is the InChIKey of 3-[6-[4-(1-cyclopropylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3S)-4-(furan-2-ylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole?
The InChIKey is BHQCEPFZECDRTA-LPECGTQYSA-N. The full InChI is InChI=1S/C26H29N5O2.C26H33N5O.C23H26F3N5O.C22H27N5O/c1-18-15-31(10-9-30(18)16-21-4-3-11-32-21)24-13-23(28-17-29-24)25-22-12-20(33-26(2)7-8-26)6-5-19(22)14-27-25;1-18(13-19-3-4-19)30-9-11-31(12-10-30)24-15-23(28-17-29-24)25-22-14-21(32-26(2)7-8-26)6-5-20(22)16-27-25;1-22(4-5-22)32-17-3-2-16-14-27-21(18(16)12-17)19-13-20(29-15-28-19)31-10-8-30(9-11-31)7-6-23(24,25)26;1-3-26-8-10-27(11-9-26)20-13-19(24-15-25-20)21-18-12-17(28-22(2)6-7-22)5-4-16(18)14-23-21/h3-6,11-13,17-18H,7-10,14-16H2,1-2H3;5-6,14-15,17-19H,3-4,7-13,16H2,1-2H3;2-3,12-13,15H,4-11,14H2,1H3;4-5,12-13,15H,3,6-11,14H2,1-2H3/t18-;;;/m0.../s1.
What are the key properties of 3-[6-[4-(1-cyclopropylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3S)-4-(furan-2-ylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole?
3-[6-[4-(1-cyclopropylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3S)-4-(furan-2-ylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole has a molecular weight of 1698.12 g/mol, XLogP of 14.87, 24 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(1-cyclopropylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;3-[6-[(3S)-4-(furan-2-ylmethyl)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole;5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-4-yl]-1H-isoindole is sourced from PubChem (CID 157351902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).