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

C116H137N21O11 — CID 157460881

IUPAC1-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
SMILESCC(C)CC1COCCN1c1cc(C2=NCc3ccc(OC4(C)CC4)cc32)ncn1.CC1(Oc2ccc3c(c2)C(c2cc(N4C5CCC4COC5)ncn2)=NC3)CC1.CC1(Oc2ccc3c(c2)C(c2cc(N4CCN(C5CCCCC5)C(=O)C4)ncn2)=NC3)CC1.COCC1CN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CCO1.C[C@@H]1COC[C@@H](C)N1c1cc(C2=NCc3ccc(OC4(C)CC4)cc32)ncn1
InChIInChI=1S/C26H31N5O2.C24H30N4O2.C22H26N4O3.C22H24N4O2.C22H26N4O2/c1-26(9-10-26)33-20-8-7-18-15-27-25(21(18)13-20)22-14-23(29-17-28-22)30-11-12-31(24(32)16-30)19-5-3-2-4-6-19;1-16(2)10-18-14-29-9-8-28(18)22-12-21(26-15-27-22)23-20-11-19(30-24(3)6-7-24)5-4-17(20)13-25-23;1-22(5-6-22)29-16-4-3-15-11-23-21(18(15)9-16)19-10-20(25-14-24-19)26-7-8-28-17(12-26)13-27-2;1-22(6-7-22)28-17-5-2-14-10-23-21(18(14)8-17)19-9-20(25-13-24-19)26-15-3-4-16(26)12-27-11-15;1-14-11-27-12-15(2)26(14)20-9-19(24-13-25-20)21-18-8-17(28-22(3)6-7-22)5-4-16(18)10-23-21/h7-8,13-14,17,19H,2-6,9-12,15-16H2,1H3;4-5,11-12,15-16,18H,6-10,13-14H2,1-3H3;3-4,9-10,14,17H,5-8,11-13H2,1-2H3;2,5,8-9,13,15-16H,3-4,6-7,10-12H2,1H3;4-5,8-9,13-15H,6-7,10-12H2,1-3H3/t;;;;14-,15-/m....1/s1
InChIKeyBTXGYXFIANRRHY-ZSAZGDDQSA-N
MW2001.51 g/mol
LogP16.86
Rot. Bonds25

About 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

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 (PubChem CID 157460881) has the molecular formula C116H137N21O11 and a molecular weight of 2001.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID157460881
Molecular FormulaC116H137N21O11
Molecular Weight2001.51 g/mol
Exact Mass2000.08
IUPAC Name1-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
SMILESCC(C)CC1COCCN1c1cc(C2=NCc3ccc(OC4(C)CC4)cc32)ncn1.CC1(Oc2ccc3c(c2)C(c2cc(N4C5CCC4COC5)ncn2)=NC3)CC1.CC1(Oc2ccc3c(c2)C(c2cc(N4CCN(C5CCCCC5)C(=O)C4)ncn2)=NC3)CC1.COCC1CN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CCO1.C[C@@H]1COC[C@@H](C)N1c1cc(C2=NCc3ccc(OC4(C)CC4)cc32)ncn1
InChIInChI=1S/C26H31N5O2.C24H30N4O2.C22H26N4O3.C22H24N4O2.C22H26N4O2/c1-26(9-10-26)33-20-8-7-18-15-27-25(21(18)13-20)22-14-23(29-17-28-22)30-11-12-31(24(32)16-30)19-5-3-2-4-6-19;1-16(2)10-18-14-29-9-8-28(18)22-12-21(26-15-27-22)23-20-11-19(30-24(3)6-7-24)5-4-17(20)13-25-23;1-22(5-6-22)29-16-4-3-15-11-23-21(18(15)9-16)19-10-20(25-14-24-19)26-7-8-28-17(12-26)13-27-2;1-22(6-7-22)28-17-5-2-14-10-23-21(18(14)8-17)19-9-20(25-13-24-19)26-15-3-4-16(26)12-27-11-15;1-14-11-27-12-15(2)26(14)20-9-19(24-13-25-20)21-18-8-17(28-22(3)6-7-22)5-4-16(18)10-23-21/h7-8,13-14,17,19H,2-6,9-12,15-16H2,1H3;4-5,11-12,15-16,18H,6-10,13-14H2,1-3H3;3-4,9-10,14,17H,5-8,11-13H2,1-2H3;2,5,8-9,13,15-16H,3-4,6-7,10-12H2,1H3;4-5,8-9,13-15H,6-7,10-12H2,1-3H3/t;;;;14-,15-/m....1/s1
InChIKeyBTXGYXFIANRRHY-ZSAZGDDQSA-N
XLogP16.86
TPSA319.51 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002001.51
LogP ≤ 516.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 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 with MolForge

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

Launch Full Analysis

Related Compounds

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
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-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;(3S,4S)-4-(dimethylamino)-1-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S,4S)-4-methoxy-1-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;7-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine;5-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 157675197
3-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;3-[6-(3-methoxyazetidin-1-yl)pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;[(3S)-1-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3R)-1-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol;4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
CID 157764108
(2R)-4-[6-[6-(3-ethyloxetan-3-yl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine;7-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;8-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3-oxa-8-azabicyclo[3.2.1]octane;1-[4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone
CID 158909094
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-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;1-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-2-one;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane;4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide
CID 161129114
3-[6-(3,3-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;3-[6-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;(3S,5R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3,5-dimethylmorpholine;(3R,5R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-3,5-dimethylmorpholine;(3R)-4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3-methylmorpholine
CID 162161168
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
(2R,6S)-2,6-dimethyl-4-[6-[6-(oxan-4-yloxy)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;5-(1-methylcyclopropyl)oxy-3-[6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-4-yl]-1H-isoindole;4-[6-[6-(oxan-4-yloxy)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 157409832

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CC1COCCN1c1cc(C2=NCc3ccc(OC4(C)CC4)cc32)ncn1.CC1(Oc2ccc3c(c2)C(c2cc(N4C5CCC4COC5)ncn2)=NC3)CC1.CC1(Oc2ccc3c(c2)C(c2cc(N4CCN(C5CCCCC5)C(=O)C4)ncn2)=NC3)CC1.COCC1CN(c2cc(C3=NCc4ccc(OC5(C)CC5)cc43)ncn2)CCO1.C[C@@H]1COC[C@@H](C)N1c1cc(C2=NCc3ccc(OC4(C)CC4)cc32)ncn1.
What is the InChIKey of 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?
The InChIKey is BTXGYXFIANRRHY-ZSAZGDDQSA-N. The full InChI is InChI=1S/C26H31N5O2.C24H30N4O2.C22H26N4O3.C22H24N4O2.C22H26N4O2/c1-26(9-10-26)33-20-8-7-18-15-27-25(21(18)13-20)22-14-23(29-17-28-22)30-11-12-31(24(32)16-30)19-5-3-2-4-6-19;1-16(2)10-18-14-29-9-8-28(18)22-12-21(26-15-27-22)23-20-11-19(30-24(3)6-7-24)5-4-17(20)13-25-23;1-22(5-6-22)29-16-4-3-15-11-23-21(18(15)9-16)19-10-20(25-14-24-19)26-7-8-28-17(12-26)13-27-2;1-22(6-7-22)28-17-5-2-14-10-23-21(18(14)8-17)19-9-20(25-13-24-19)26-15-3-4-16(26)12-27-11-15;1-14-11-27-12-15(2)26(14)20-9-19(24-13-25-20)21-18-8-17(28-22(3)6-7-22)5-4-16(18)10-23-21/h7-8,13-14,17,19H,2-6,9-12,15-16H2,1H3;4-5,11-12,15-16,18H,6-10,13-14H2,1-3H3;3-4,9-10,14,17H,5-8,11-13H2,1-2H3;2,5,8-9,13,15-16H,3-4,6-7,10-12H2,1H3;4-5,8-9,13-15H,6-7,10-12H2,1-3H3/t;;;;14-,15-/m....1/s1.
What are the key properties of 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?
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 has a molecular weight of 2001.51 g/mol, XLogP of 16.86, 25 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157460881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).