4-[4-cyclohexyloxy-2-(1H-indazol-5-ylmethyl)-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[4-cyclohexyloxy-2-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide

C160H158N22O16 — CID 158649759

IUPAC4-[4-cyclohexyloxy-2-(1H-indazol-5-ylmethyl)-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[4-cyclohexyloxy-2-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(O)cc2)=CC3)c(OC)c1.CNC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(O)cc2)=CC3)cc1.CNC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2cccc(C)c2)=CC3)cc1.CNC(=O)c1ccc(Nc2nc(OC)c3c(-c4ccc(O)cc4)c[nH]c3n2)cc1.Oc1ccc(C2=CCc3nc(Cc4ccc(-c5cn[nH]c5)cc4)nc(OC4CCCCC4)c32)cc1.Oc1ccc(C2=CCc3nc(Cc4ccc5[nH]ncc5c4)nc(OC4CCCCC4)c32)cc1
InChIInChI=1S/C29H28N4O2.C28H29N3O4.C28H29N3O2.C27H26N4O2.C27H27N3O3.C21H19N5O3/c34-23-12-10-21(11-13-23)25-14-15-26-28(25)29(35-24-4-2-1-3-5-24)33-27(32-26)16-19-6-8-20(9-7-19)22-17-30-31-18-22;1-29-27(33)19-8-7-18(24(15-19)34-2)16-25-30-23-14-13-22(17-9-11-20(32)12-10-17)26(23)28(31-25)35-21-5-3-4-6-21;1-18-6-5-7-21(16-18)23-14-15-24-26(23)28(33-22-8-3-4-9-22)31-25(30-24)17-19-10-12-20(13-11-19)27(32)29-2;32-20-9-7-18(8-10-20)22-11-13-24-26(22)27(33-21-4-2-1-3-5-21)30-25(29-24)15-17-6-12-23-19(14-17)16-28-31-23;1-28-26(32)19-8-6-17(7-9-19)16-24-29-23-15-14-22(18-10-12-20(31)13-11-18)25(23)27(30-24)33-21-4-2-3-5-21;1-22-19(28)13-3-7-14(8-4-13)24-21-25-18-17(20(26-21)29-2)16(11-23-18)12-5-9-15(27)10-6-12/h6-14,17-18,24,34H,1-5,15-16H2,(H,30,31);7-13,15,21,32H,3-6,14,16H2,1-2H3,(H,29,33);5-7,10-14,16,22H,3-4,8-9,15,17H2,1-2H3,(H,29,32);6-12,14,16,21,32H,1-5,13,15H2,(H,28,31);6-14,21,31H,2-5,15-16H2,1H3,(H,28,32);3-11,27H,1-2H3,(H,22,28)(H2,23,24,25,26)
InChIKeyIBKBTRTVNPGISP-UHFFFAOYSA-N
MW2645.16 g/mol
LogP28.59
Rot. Bonds35

About 4-[4-cyclohexyloxy-2-(1H-indazol-5-ylmethyl)-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[4-cyclohexyloxy-2-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide

4-[4-cyclohexyloxy-2-(1H-indazol-5-ylmethyl)-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[4-cyclohexyloxy-2-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide (PubChem CID 158649759) has the molecular formula C160H158N22O16 and a molecular weight of 2645.16 g/mol. Its IUPAC name is 4-[4-cyclohexyloxy-2-(1H-indazol-5-ylmethyl)-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[4-cyclohexyloxy-2-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-cyclohexyloxy-2-(1H-indazol-5-ylmethyl)-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[4-cyclohexyloxy-2-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide
PubChem CID158649759
Molecular FormulaC160H158N22O16
Molecular Weight2645.16 g/mol
Exact Mass2643.22
IUPAC Name4-[4-cyclohexyloxy-2-(1H-indazol-5-ylmethyl)-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[4-cyclohexyloxy-2-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(O)cc2)=CC3)c(OC)c1.CNC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(O)cc2)=CC3)cc1.CNC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2cccc(C)c2)=CC3)cc1.CNC(=O)c1ccc(Nc2nc(OC)c3c(-c4ccc(O)cc4)c[nH]c3n2)cc1.Oc1ccc(C2=CCc3nc(Cc4ccc(-c5cn[nH]c5)cc4)nc(OC4CCCCC4)c32)cc1.Oc1ccc(C2=CCc3nc(Cc4ccc5[nH]ncc5c4)nc(OC4CCCCC4)c32)cc1
InChIInChI=1S/C29H28N4O2.C28H29N3O4.C28H29N3O2.C27H26N4O2.C27H27N3O3.C21H19N5O3/c34-23-12-10-21(11-13-23)25-14-15-26-28(25)29(35-24-4-2-1-3-5-24)33-27(32-26)16-19-6-8-20(9-7-19)22-17-30-31-18-22;1-29-27(33)19-8-7-18(24(15-19)34-2)16-25-30-23-14-13-22(17-9-11-20(32)12-10-17)26(23)28(31-25)35-21-5-3-4-6-21;1-18-6-5-7-21(16-18)23-14-15-24-26(23)28(33-22-8-3-4-9-22)31-25(30-24)17-19-10-12-20(13-11-19)27(32)29-2;32-20-9-7-18(8-10-20)22-11-13-24-26(22)27(33-21-4-2-1-3-5-21)30-25(29-24)15-17-6-12-23-19(14-17)16-28-31-23;1-28-26(32)19-8-6-17(7-9-19)16-24-29-23-15-14-22(18-10-12-20(31)13-11-18)25(23)27(30-24)33-21-4-2-3-5-21;1-22-19(28)13-3-7-14(8-4-13)24-21-25-18-17(20(26-21)29-2)16(11-23-18)12-5-9-15(27)10-6-12/h6-14,17-18,24,34H,1-5,15-16H2,(H,30,31);7-13,15,21,32H,3-6,14,16H2,1-2H3,(H,29,33);5-7,10-14,16,22H,3-4,8-9,15,17H2,1-2H3,(H,29,32);6-12,14,16,21,32H,1-5,13,15H2,(H,28,31);6-14,21,31H,2-5,15-16H2,1H3,(H,28,32);3-11,27H,1-2H3,(H,22,28)(H2,23,24,25,26)
InChIKeyIBKBTRTVNPGISP-UHFFFAOYSA-N
XLogP28.59
TPSA522.02 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds35
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002645.16
LogP ≤ 528.59
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Analyze 4-[4-cyclohexyloxy-2-(1H-indazol-5-ylmethyl)-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[4-cyclohexyloxy-2-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide with MolForge

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Related Compounds

4-[[4-(cyclopentylamino)-5-(4-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-fluoro-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 157194322
1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 157219029
7-tert-butyl-4H-chromen-3-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butylisoindole-1,3-dione;8-tert-butyl-3-methylidene-4H-1,4-benzoxazine;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-prop-2-enylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157338514
8-[3-[(3R)-3-aminopyrrolidin-1-yl]propyl]-11-(4-hydroxyphenyl)-16-methyl-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-9-one;16-cyclopenta-1,3-dien-1-yl-11-(4-hydroxyphenyl)-5-piperidin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-8-(2-piperazin-1-ylethyl)-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-5-(3-piperidin-1-ylpropoxy)-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one
CID 157356510
3-dibenzofuran-4-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethyl-2H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157370262
3-methoxy-4-[[4-methoxy-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxetan-3-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methyl]benzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-4-pyridinyl)-4-[(3S)-oxolan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[4-(oxolan-3-yloxy)-5-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-2-yl]methyl]benzamide
CID 157383350
N,3-dimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,3-dimethyl-4-[[5-[3-(methylcarbamoyl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2-oxo-1H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-[4-(1H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157435782
4-[[5-(2-amino-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-[4-(1-methylpyrrol-2-yl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157484244
4-[[5-[4-(carbamoylamino)phenyl]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-(cyclohexylamino)-5-(4-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 157555645
4-[[4-cyclopentyloxy-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]-N,N-dimethylbenzamide;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;1-[4-[[4-cyclopentyloxy-5-(1H-pyrazol-5-yl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one
CID 157588717
N-[2-(dimethylamino)ethyl]-3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzamide;5-[2-[(3-ethynylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;5-[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;5-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;N-[2-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide;N-methyl-3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]benzamide;2-methyl-N-[2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole
CID 157632738
N-(2-methoxy-5-phenylphenyl)-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[3-[4-(2-methyl-5-phenylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone;1-[3-[4-(4-phenoxyanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone
CID 157668389

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclohexyloxy-2-(1H-indazol-5-ylmethyl)-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[4-cyclohexyloxy-2-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 4-[4-cyclohexyloxy-2-(1H-indazol-5-ylmethyl)-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[4-cyclohexyloxy-2-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide (CID 158649759) is 4-[4-cyclohexyloxy-2-(1H-indazol-5-ylmethyl)-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[4-cyclohexyloxy-2-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[4-cyclohexyloxy-2-(1H-indazol-5-ylmethyl)-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[4-cyclohexyloxy-2-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[4-cyclohexyloxy-2-(1H-indazol-5-ylmethyl)-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[4-cyclohexyloxy-2-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide is CNC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(O)cc2)=CC3)c(OC)c1.CNC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(O)cc2)=CC3)cc1.CNC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2cccc(C)c2)=CC3)cc1.CNC(=O)c1ccc(Nc2nc(OC)c3c(-c4ccc(O)cc4)c[nH]c3n2)cc1.Oc1ccc(C2=CCc3nc(Cc4ccc(-c5cn[nH]c5)cc4)nc(OC4CCCCC4)c32)cc1.Oc1ccc(C2=CCc3nc(Cc4ccc5[nH]ncc5c4)nc(OC4CCCCC4)c32)cc1.
What is the InChIKey of 4-[4-cyclohexyloxy-2-(1H-indazol-5-ylmethyl)-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[4-cyclohexyloxy-2-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide?
The InChIKey is IBKBTRTVNPGISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2.C28H29N3O4.C28H29N3O2.C27H26N4O2.C27H27N3O3.C21H19N5O3/c34-23-12-10-21(11-13-23)25-14-15-26-28(25)29(35-24-4-2-1-3-5-24)33-27(32-26)16-19-6-8-20(9-7-19)22-17-30-31-18-22;1-29-27(33)19-8-7-18(24(15-19)34-2)16-25-30-23-14-13-22(17-9-11-20(32)12-10-17)26(23)28(31-25)35-21-5-3-4-6-21;1-18-6-5-7-21(16-18)23-14-15-24-26(23)28(33-22-8-3-4-9-22)31-25(30-24)17-19-10-12-20(13-11-19)27(32)29-2;32-20-9-7-18(8-10-20)22-11-13-24-26(22)27(33-21-4-2-1-3-5-21)30-25(29-24)15-17-6-12-23-19(14-17)16-28-31-23;1-28-26(32)19-8-6-17(7-9-19)16-24-29-23-15-14-22(18-10-12-20(31)13-11-18)25(23)27(30-24)33-21-4-2-3-5-21;1-22-19(28)13-3-7-14(8-4-13)24-21-25-18-17(20(26-21)29-2)16(11-23-18)12-5-9-15(27)10-6-12/h6-14,17-18,24,34H,1-5,15-16H2,(H,30,31);7-13,15,21,32H,3-6,14,16H2,1-2H3,(H,29,33);5-7,10-14,16,22H,3-4,8-9,15,17H2,1-2H3,(H,29,32);6-12,14,16,21,32H,1-5,13,15H2,(H,28,31);6-14,21,31H,2-5,15-16H2,1H3,(H,28,32);3-11,27H,1-2H3,(H,22,28)(H2,23,24,25,26).
What are the key properties of 4-[4-cyclohexyloxy-2-(1H-indazol-5-ylmethyl)-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[4-cyclohexyloxy-2-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide?
4-[4-cyclohexyloxy-2-(1H-indazol-5-ylmethyl)-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[4-cyclohexyloxy-2-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide has a molecular weight of 2645.16 g/mol, XLogP of 28.59, 35 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclohexyloxy-2-(1H-indazol-5-ylmethyl)-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[4-cyclohexyloxy-2-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxy-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[4-cyclopentyloxy-5-(3-methylphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-N-methylbenzamide;4-[[5-(4-hydroxyphenyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 158649759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).