N-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine

C156H187F8N29O3S — CID 158317458

IUPACN-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine
SMILESCC1(C)CNCCN1Cc1cccc(-c2ccnc(NCCc3cccc(F)c3)n2)c1.CCN(CCC1CCCC1)Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3nn[nH]n3)n2)c1)C1CCNCC1.CS(=O)(=O)N(CCC1CCCC1)Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(NCCc3ccc4c(c3)C(F)(F)C(=O)N4)n2)c1.Cc1c(CN2CCNC[C@@H]2C)cccc1-c1ccnc(CCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C29H36FN3.C28H33F2N3O2S.C26H28F2N6O.C26H30F2N4.C25H30FN5.C22H30N8/c1-2-33(19-17-23-8-3-4-9-23)22-25-12-5-13-26(20-25)28-16-18-31-29(32-28)15-7-11-24-10-6-14-27(30)21-24;1-36(34,35)33(15-13-21-6-2-3-7-21)20-23-9-4-10-24(16-23)27-12-14-31-28(32-27)11-5-8-22-17-25(29)19-26(30)18-22;1-17-15-29-11-12-34(17)16-19-3-2-4-20(13-19)22-8-10-31-25(33-22)30-9-7-18-5-6-23-21(14-18)26(27,28)24(35)32-23;1-18-16-29-11-12-32(18)17-21-6-4-7-24(19(21)2)25-9-10-30-26(31-25)8-3-5-20-13-22(27)15-23(28)14-20;1-25(2)18-27-13-14-31(25)17-20-6-3-7-21(15-20)23-10-12-29-24(30-23)28-11-9-19-5-4-8-22(26)16-19;1-2-30(19-9-12-23-13-10-19)16-17-5-3-6-18(15-17)20-11-14-24-21(25-20)7-4-8-22-26-28-29-27-22/h5-6,10,12-14,16,18,20-21,23H,2-4,7-9,11,15,17,19,22H2,1H3;4,9-10,12,14,16-19,21H,2-3,5-8,11,13,15,20H2,1H3;2-6,8,10,13-14,17,29H,7,9,11-12,15-16H2,1H3,(H,32,35)(H,30,31,33);4,6-7,9-10,13-15,18,29H,3,5,8,11-12,16-17H2,1-2H3;3-8,10,12,15-16,27H,9,11,13-14,17-18H2,1-2H3,(H,28,29,30);3,5-6,11,14-15,19,23H,2,4,7-10,12-13,16H2,1H3,(H,26,27,28,29)/t;;17-;18-;;/m..00../s1
InChIKeyGOLAWBNDDOQXOH-BHNVISGTSA-N
MW2700.46 g/mol
LogP27.66
Rot. Bonds52

About N-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine

N-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine (PubChem CID 158317458) has the molecular formula C156H187F8N29O3S and a molecular weight of 2700.46 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine
PubChem CID158317458
Molecular FormulaC156H187F8N29O3S
Molecular Weight2700.46 g/mol
Exact Mass2698.50
IUPAC NameN-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine
SMILESCC1(C)CNCCN1Cc1cccc(-c2ccnc(NCCc3cccc(F)c3)n2)c1.CCN(CCC1CCCC1)Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3nn[nH]n3)n2)c1)C1CCNCC1.CS(=O)(=O)N(CCC1CCCC1)Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(NCCc3ccc4c(c3)C(F)(F)C(=O)N4)n2)c1.Cc1c(CN2CCNC[C@@H]2C)cccc1-c1ccnc(CCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C29H36FN3.C28H33F2N3O2S.C26H28F2N6O.C26H30F2N4.C25H30FN5.C22H30N8/c1-2-33(19-17-23-8-3-4-9-23)22-25-12-5-13-26(20-25)28-16-18-31-29(32-28)15-7-11-24-10-6-14-27(30)21-24;1-36(34,35)33(15-13-21-6-2-3-7-21)20-23-9-4-10-24(16-23)27-12-14-31-28(32-27)11-5-8-22-17-25(29)19-26(30)18-22;1-17-15-29-11-12-34(17)16-19-3-2-4-20(13-19)22-8-10-31-25(33-22)30-9-7-18-5-6-23-21(14-18)26(27,28)24(35)32-23;1-18-16-29-11-12-32(18)17-21-6-4-7-24(19(21)2)25-9-10-30-26(31-25)8-3-5-20-13-22(27)15-23(28)14-20;1-25(2)18-27-13-14-31(25)17-20-6-3-7-21(15-20)23-10-12-29-24(30-23)28-11-9-19-5-4-8-22(26)16-19;1-2-30(19-9-12-23-13-10-19)16-17-5-3-6-18(15-17)20-11-14-24-21(25-20)7-4-8-22-26-28-29-27-22/h5-6,10,12-14,16,18,20-21,23H,2-4,7-9,11,15,17,19,22H2,1H3;4,9-10,12,14,16-19,21H,2-3,5-8,11,13,15,20H2,1H3;2-6,8,10,13-14,17,29H,7,9,11-12,15-16H2,1H3,(H,32,35)(H,30,31,33);4,6-7,9-10,13-15,18,29H,3,5,8,11-12,16-17H2,1-2H3;3-8,10,12,15-16,27H,9,11,13-14,17-18H2,1-2H3,(H,28,29,30);3,5-6,11,14-15,19,23H,2,4,7-10,12-13,16H2,1H3,(H,26,27,28,29)/t;;17-;18-;;/m..00../s1
InChIKeyGOLAWBNDDOQXOH-BHNVISGTSA-N
XLogP27.66
TPSA364.00 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds52
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002700.46
LogP ≤ 527.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze N-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine with MolForge

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Related Compounds

N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine
CID 157828317
N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine;2-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide
CID 158852523
N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine
CID 159243043
N-[1-[1-[6-(cycloheptylmethylamino)-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-(1-methylindol-3-yl)propyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
CID 161281825

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine?
The IUPAC name of N-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine (CID 158317458) is N-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine?
The canonical SMILES for N-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine is CC1(C)CNCCN1Cc1cccc(-c2ccnc(NCCc3cccc(F)c3)n2)c1.CCN(CCC1CCCC1)Cc1cccc(-c2ccnc(CCCc3cccc(F)c3)n2)c1.CCN(Cc1cccc(-c2ccnc(CCCc3nn[nH]n3)n2)c1)C1CCNCC1.CS(=O)(=O)N(CCC1CCCC1)Cc1cccc(-c2ccnc(CCCc3cc(F)cc(F)c3)n2)c1.C[C@H]1CNCCN1Cc1cccc(-c2ccnc(NCCc3ccc4c(c3)C(F)(F)C(=O)N4)n2)c1.Cc1c(CN2CCNC[C@@H]2C)cccc1-c1ccnc(CCCc2cc(F)cc(F)c2)n1.
What is the InChIKey of N-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine?
The InChIKey is GOLAWBNDDOQXOH-BHNVISGTSA-N. The full InChI is InChI=1S/C29H36FN3.C28H33F2N3O2S.C26H28F2N6O.C26H30F2N4.C25H30FN5.C22H30N8/c1-2-33(19-17-23-8-3-4-9-23)22-25-12-5-13-26(20-25)28-16-18-31-29(32-28)15-7-11-24-10-6-14-27(30)21-24;1-36(34,35)33(15-13-21-6-2-3-7-21)20-23-9-4-10-24(16-23)27-12-14-31-28(32-27)11-5-8-22-17-25(29)19-26(30)18-22;1-17-15-29-11-12-34(17)16-19-3-2-4-20(13-19)22-8-10-31-25(33-22)30-9-7-18-5-6-23-21(14-18)26(27,28)24(35)32-23;1-18-16-29-11-12-32(18)17-21-6-4-7-24(19(21)2)25-9-10-30-26(31-25)8-3-5-20-13-22(27)15-23(28)14-20;1-25(2)18-27-13-14-31(25)17-20-6-3-7-21(15-20)23-10-12-29-24(30-23)28-11-9-19-5-4-8-22(26)16-19;1-2-30(19-9-12-23-13-10-19)16-17-5-3-6-18(15-17)20-11-14-24-21(25-20)7-4-8-22-26-28-29-27-22/h5-6,10,12-14,16,18,20-21,23H,2-4,7-9,11,15,17,19,22H2,1H3;4,9-10,12,14,16-19,21H,2-3,5-8,11,13,15,20H2,1H3;2-6,8,10,13-14,17,29H,7,9,11-12,15-16H2,1H3,(H,32,35)(H,30,31,33);4,6-7,9-10,13-15,18,29H,3,5,8,11-12,16-17H2,1-2H3;3-8,10,12,15-16,27H,9,11,13-14,17-18H2,1-2H3,(H,28,29,30);3,5-6,11,14-15,19,23H,2,4,7-10,12-13,16H2,1H3,(H,26,27,28,29)/t;;17-;18-;;/m..00../s1.
What are the key properties of N-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine?
N-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine has a molecular weight of 2700.46 g/mol, XLogP of 27.66, 52 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 158317458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).