4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;4-[6-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-2-(6-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine

C108H128FN23O4S2 — CID 158781137

IUPAC4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;4-[6-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-2-(6-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine
SMILESC1=Cc2c(cccc2-c2nc(N3CCOCC3)c3sc(CN4CC5CNCC5C4)nc3n2)C1.CCn1c(CN2CCC(N(C)C)CC2)nc2c(N3CCOCC3)nc(-c3cccc4c3C=CC4)nc21.CN1CCN(Cc2ccc3nc(-c4cccc5c4C=CC5)nc(N4CCOCC4)c3c2)CC1.Fc1cc2c(c(-c3nc(N4CCOCC4)c4sc(CN5CCC(N6CCC6)CC5)cc4n3)c1)C=CC2
InChIInChI=1S/C28H32FN5OS.C28H37N7O.C27H31N5O.C25H28N6OS/c29-20-15-19-3-1-4-23(19)24(16-20)27-30-25-17-22(18-32-9-5-21(6-10-32)33-7-2-8-33)36-26(25)28(31-27)34-11-13-35-14-12-34;1-4-35-24(19-33-13-11-21(12-14-33)32(2)3)29-25-27(34-15-17-36-18-16-34)30-26(31-28(25)35)23-10-6-8-20-7-5-9-22(20)23;1-30-10-12-31(13-11-30)19-20-8-9-25-24(18-20)27(32-14-16-33-17-15-32)29-26(28-25)23-7-3-5-21-4-2-6-22(21)23;1-3-16-4-2-6-20(19(16)5-1)23-28-24-22(25(29-23)31-7-9-32-10-8-31)33-21(27-24)15-30-13-17-11-26-12-18(17)14-30/h1,4,15-17,21H,2-3,5-14,18H2;5-6,8-10,21H,4,7,11-19H2,1-3H3;2-3,5-9,18H,4,10-17,19H2,1H3;1-2,4-6,17-18,26H,3,7-15H2
InChIKeyIRCBMXDCYJNBMG-UHFFFAOYSA-N
MW1895.50 g/mol
LogP14.28
Rot. Bonds19

About 4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;4-[6-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-2-(6-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine

4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;4-[6-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-2-(6-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine (PubChem CID 158781137) has the molecular formula C108H128FN23O4S2 and a molecular weight of 1895.50 g/mol. Its IUPAC name is 4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;4-[6-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-2-(6-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;4-[6-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-2-(6-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine
PubChem CID158781137
Molecular FormulaC108H128FN23O4S2
Molecular Weight1895.50 g/mol
Exact Mass1893.99
IUPAC Name4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;4-[6-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-2-(6-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine
SMILESC1=Cc2c(cccc2-c2nc(N3CCOCC3)c3sc(CN4CC5CNCC5C4)nc3n2)C1.CCn1c(CN2CCC(N(C)C)CC2)nc2c(N3CCOCC3)nc(-c3cccc4c3C=CC4)nc21.CN1CCN(Cc2ccc3nc(-c4cccc5c4C=CC5)nc(N4CCOCC4)c3c2)CC1.Fc1cc2c(c(-c3nc(N4CCOCC4)c4sc(CN5CCC(N6CCC6)CC5)cc4n3)c1)C=CC2
InChIInChI=1S/C28H32FN5OS.C28H37N7O.C27H31N5O.C25H28N6OS/c29-20-15-19-3-1-4-23(19)24(16-20)27-30-25-17-22(18-32-9-5-21(6-10-32)33-7-2-8-33)36-26(25)28(31-27)34-11-13-35-14-12-34;1-4-35-24(19-33-13-11-21(12-14-33)32(2)3)29-25-27(34-15-17-36-18-16-34)30-26(31-28(25)35)23-10-6-8-20-7-5-9-22(20)23;1-30-10-12-31(13-11-30)19-20-8-9-25-24(18-20)27(32-14-16-33-17-15-32)29-26(28-25)23-7-3-5-21-4-2-6-22(21)23;1-3-16-4-2-6-20(19(16)5-1)23-28-24-22(25(29-23)31-7-9-32-10-8-31)33-21(27-24)15-30-13-17-11-26-12-18(17)14-30/h1,4,15-17,21H,2-3,5-14,18H2;5-6,8-10,21H,4,7,11-19H2,1-3H3;2-3,5-9,18H,4,10-17,19H2,1H3;1-2,4-6,17-18,26H,3,7-15H2
InChIKeyIRCBMXDCYJNBMG-UHFFFAOYSA-N
XLogP14.28
TPSA218.42 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds19
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001895.50
LogP ≤ 514.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze 4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;4-[6-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-2-(6-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine 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

4-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-N,N-dimethylmorpholine-2-carboxamide;4-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]-N-methylmorpholine-2-carboxamide;4-[(2S)-1-[5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2,4-dimethylindol-1-yl]propan-2-yl]morpholine-2-carboxamide
CID 160117131
4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;3-[4-(6-fluoro-1H-inden-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-pyridin-3-ylpropan-1-one;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine
CID 157067077
4-[6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[7-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine
CID 157079729
N-butan-2-yl-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine
CID 157403909
4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;6-(6-fluoro-1H-inden-4-yl)-2-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine;3-[4-(6-fluoro-1H-inden-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-pyridin-3-ylpropan-1-one;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine
CID 158578989
4-[6-(7-fluoro-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-15-yl)-3-pyridinyl]morpholine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine
CID 159184958
4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,8-naphthyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine
CID 161099527
4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[7-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine
CID 161138657
N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-(3-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-(4-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-6-(4-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 161407417

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;4-[6-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-2-(6-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine?
The IUPAC name of 4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;4-[6-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-2-(6-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine (CID 158781137) is 4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;4-[6-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-2-(6-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;4-[6-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-2-(6-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;4-[6-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-2-(6-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine is C1=Cc2c(cccc2-c2nc(N3CCOCC3)c3sc(CN4CC5CNCC5C4)nc3n2)C1.CCn1c(CN2CCC(N(C)C)CC2)nc2c(N3CCOCC3)nc(-c3cccc4c3C=CC4)nc21.CN1CCN(Cc2ccc3nc(-c4cccc5c4C=CC5)nc(N4CCOCC4)c3c2)CC1.Fc1cc2c(c(-c3nc(N4CCOCC4)c4sc(CN5CCC(N6CCC6)CC5)cc4n3)c1)C=CC2.
What is the InChIKey of 4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;4-[6-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-2-(6-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine?
The InChIKey is IRCBMXDCYJNBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5OS.C28H37N7O.C27H31N5O.C25H28N6OS/c29-20-15-19-3-1-4-23(19)24(16-20)27-30-25-17-22(18-32-9-5-21(6-10-32)33-7-2-8-33)36-26(25)28(31-27)34-11-13-35-14-12-34;1-4-35-24(19-33-13-11-21(12-14-33)32(2)3)29-25-27(34-15-17-36-18-16-34)30-26(31-28(25)35)23-10-6-8-20-7-5-9-22(20)23;1-30-10-12-31(13-11-30)19-20-8-9-25-24(18-20)27(32-14-16-33-17-15-32)29-26(28-25)23-7-3-5-21-4-2-6-22(21)23;1-3-16-4-2-6-20(19(16)5-1)23-28-24-22(25(29-23)31-7-9-32-10-8-31)33-21(27-24)15-30-13-17-11-26-12-18(17)14-30/h1,4,15-17,21H,2-3,5-14,18H2;5-6,8-10,21H,4,7,11-19H2,1-3H3;2-3,5-9,18H,4,10-17,19H2,1H3;1-2,4-6,17-18,26H,3,7-15H2.
What are the key properties of 4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;4-[6-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-2-(6-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine?
4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;4-[6-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-2-(6-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine has a molecular weight of 1895.50 g/mol, XLogP of 14.28, 19 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(1H-inden-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;4-[6-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-2-(6-fluoro-1H-inden-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;1-[[9-ethyl-2-(1H-inden-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-N,N-dimethylpiperidin-4-amine;4-[2-(1H-inden-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-yl]morpholine is sourced from PubChem (CID 158781137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).