N-[1-[4-[6-(6-cyclopropyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile

C109H104F6N24O2 — CID 157374372

IUPACN-[1-[4-[6-(6-cyclopropyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile
SMILESC=C(NCc1ccc(F)cc1)N1CCN(c2ncnc3c2C=C(c2ccc(C#N)cc2)C3)CC1.C=C(NCc1ccc(F)cc1)N1CCN(c2ncnc3c2C=C(c2cccc(C#N)c2)C3)CC1.C=C(NCc1ccc(F)cc1)N1CCN(c2ncnc3c2C=C(c2cccc(C(N)=O)c2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2ccc(C4CC4)nc2)C3)CC1
InChIInChI=1S/C28H27F3N6O.C27H27FN6O.2C27H25FN6/c1-18(35-22-5-7-23(8-6-22)38-28(29,30)31)36-10-12-37(13-11-36)27-24-14-21(15-26(24)33-17-34-27)20-4-9-25(32-16-20)19-2-3-19;1-18(30-16-19-5-7-23(28)8-6-19)33-9-11-34(12-10-33)27-24-14-22(15-25(24)31-17-32-27)20-3-2-4-21(13-20)26(29)35;1-19(30-17-21-4-8-24(28)9-5-21)33-10-12-34(13-11-33)27-25-14-23(15-26(25)31-18-32-27)22-6-2-20(16-29)3-7-22;1-19(30-17-20-5-7-24(28)8-6-20)33-9-11-34(12-10-33)27-25-14-23(15-26(25)31-18-32-27)22-4-2-3-21(13-22)16-29/h4-9,14,16-17,19,35H,1-3,10-13,15H2;2-8,13-14,17,30H,1,9-12,15-16H2,(H2,29,35);2-9,14,18,30H,1,10-13,15,17H2;2-8,13-14,18,30H,1,9-12,15,17H2
InChIKeyBKDLGEGNVHHEHN-UHFFFAOYSA-N
MW1896.18 g/mol
LogP16.58
Rot. Bonds26

About N-[1-[4-[6-(6-cyclopropyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile

N-[1-[4-[6-(6-cyclopropyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile (PubChem CID 157374372) has the molecular formula C109H104F6N24O2 and a molecular weight of 1896.18 g/mol. Its IUPAC name is N-[1-[4-[6-(6-cyclopropyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile.

Molecular Properties

Compound NameN-[1-[4-[6-(6-cyclopropyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile
PubChem CID157374372
Molecular FormulaC109H104F6N24O2
Molecular Weight1896.18 g/mol
Exact Mass1894.87
IUPAC NameN-[1-[4-[6-(6-cyclopropyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile
SMILESC=C(NCc1ccc(F)cc1)N1CCN(c2ncnc3c2C=C(c2ccc(C#N)cc2)C3)CC1.C=C(NCc1ccc(F)cc1)N1CCN(c2ncnc3c2C=C(c2cccc(C#N)c2)C3)CC1.C=C(NCc1ccc(F)cc1)N1CCN(c2ncnc3c2C=C(c2cccc(C(N)=O)c2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2ccc(C4CC4)nc2)C3)CC1
InChIInChI=1S/C28H27F3N6O.C27H27FN6O.2C27H25FN6/c1-18(35-22-5-7-23(8-6-22)38-28(29,30)31)36-10-12-37(13-11-36)27-24-14-21(15-26(24)33-17-34-27)20-4-9-25(32-16-20)19-2-3-19;1-18(30-16-19-5-7-23(28)8-6-19)33-9-11-34(12-10-33)27-24-14-22(15-25(24)31-17-32-27)20-3-2-4-21(13-20)26(29)35;1-19(30-17-21-4-8-24(28)9-5-21)33-10-12-34(13-11-33)27-25-14-23(15-26(25)31-18-32-27)22-6-2-20(16-29)3-7-22;1-19(30-17-20-5-7-24(28)8-6-20)33-9-11-34(12-10-33)27-25-14-23(15-26(25)31-18-32-27)22-4-2-3-21(13-22)16-29/h4-9,14,16-17,19,35H,1-3,10-13,15H2;2-8,13-14,17,30H,1,9-12,15-16H2,(H2,29,35);2-9,14,18,30H,1,10-13,15,17H2;2-8,13-14,18,30H,1,9-12,15,17H2
InChIKeyBKDLGEGNVHHEHN-UHFFFAOYSA-N
XLogP16.58
TPSA289.95 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001896.18
LogP ≤ 516.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze N-[1-[4-[6-(6-cyclopropyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile with MolForge

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Related Compounds

5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157176480
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157187034
3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
CID 157241863
N-[1-[4-[6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N-[1-[4-[6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;N-[3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]acetamide;N-[3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]methanesulfonamide
CID 157883085
N,N-dimethyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;N-[3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]acetamide;3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;1-[5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]-2-pyridinyl]propan-2-one
CID 158006378
2-[4-[[[6-[Cyclopropyl-[[3-(1,1-difluoroethoxy)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[3-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[1-[5-(1,1-difluoroethyl)-2-pyridinyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 158522927
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-cyano-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-cyano-3-pyridinyl)-6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 159022219
6-(butylamino)-5-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(butylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(butylamino)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[butyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[butyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-(propylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 159709943
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypropylamino)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 160047033
6-(3-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpiperidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpiperidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-methylpiperidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 160651800
6-(4-acetylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-ethylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-methylpiperidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpiperidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpiperidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-(2-oxopropyl)piperidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 160657343
N-[1-[4-[6-(2-cyclopropylpyrimidin-5-yl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N,N-dimethyl-5-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]pyridin-2-amine;N-[1-[4-[6-(6-methyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;N-methyl-3-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;1-[4-[4-[4-[1-[4-(trifluoromethoxy)anilino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile
CID 161091703

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[6-(6-cyclopropyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile?
The IUPAC name of N-[1-[4-[6-(6-cyclopropyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile (CID 157374372) is N-[1-[4-[6-(6-cyclopropyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile.
What is the SMILES notation for N-[1-[4-[6-(6-cyclopropyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile?
The canonical SMILES for N-[1-[4-[6-(6-cyclopropyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile is C=C(NCc1ccc(F)cc1)N1CCN(c2ncnc3c2C=C(c2ccc(C#N)cc2)C3)CC1.C=C(NCc1ccc(F)cc1)N1CCN(c2ncnc3c2C=C(c2cccc(C#N)c2)C3)CC1.C=C(NCc1ccc(F)cc1)N1CCN(c2ncnc3c2C=C(c2cccc(C(N)=O)c2)C3)CC1.C=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3c2C=C(c2ccc(C4CC4)nc2)C3)CC1.
What is the InChIKey of N-[1-[4-[6-(6-cyclopropyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile?
The InChIKey is BKDLGEGNVHHEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N6O.C27H27FN6O.2C27H25FN6/c1-18(35-22-5-7-23(8-6-22)38-28(29,30)31)36-10-12-37(13-11-36)27-24-14-21(15-26(24)33-17-34-27)20-4-9-25(32-16-20)19-2-3-19;1-18(30-16-19-5-7-23(28)8-6-19)33-9-11-34(12-10-33)27-24-14-22(15-25(24)31-17-32-27)20-3-2-4-21(13-20)26(29)35;1-19(30-17-21-4-8-24(28)9-5-21)33-10-12-34(13-11-33)27-25-14-23(15-26(25)31-18-32-27)22-6-2-20(16-29)3-7-22;1-19(30-17-20-5-7-24(28)8-6-20)33-9-11-34(12-10-33)27-25-14-23(15-26(25)31-18-32-27)22-4-2-3-21(13-22)16-29/h4-9,14,16-17,19,35H,1-3,10-13,15H2;2-8,13-14,17,30H,1,9-12,15-16H2,(H2,29,35);2-9,14,18,30H,1,10-13,15,17H2;2-8,13-14,18,30H,1,9-12,15,17H2.
What are the key properties of N-[1-[4-[6-(6-cyclopropyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile?
N-[1-[4-[6-(6-cyclopropyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile has a molecular weight of 1896.18 g/mol, XLogP of 16.58, 26 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[6-(6-cyclopropyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile is sourced from PubChem (CID 157374372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).