2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone

C107H101FN14O7S2 — CID 159778910

IUPAC2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone
SMILESCN1CCCC1C(=O)Cc1ccc2cc(C(=O)Cc3cc(-c4cccs4)ccc3N)ncc2c1.Nc1ccc(-c2ccc(F)cc2)cc1CC(=O)c1cc2ccc(N3CCNCC3)cc2cn1.Nc1ccc(-c2ccco2)cc1CC(=O)c1cc2ccc(N3CCNCC3)cc2cn1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cc2ccc(CC(=O)C3CCCN3)cc2cn1
InChIInChI=1S/C28H27N3O2S.C27H25FN4O.C27H25N3O2S.C25H24N4O2/c1-31-10-2-4-25(31)27(33)13-18-6-7-19-15-24(30-17-22(19)12-18)26(32)16-21-14-20(8-9-23(21)29)28-5-3-11-34-28;28-23-5-1-18(2-6-23)19-4-8-25(29)21(13-19)16-27(33)26-15-20-3-7-24(14-22(20)17-31-26)32-11-9-30-10-12-32;28-22-8-7-19(27-4-2-10-33-27)13-20(22)15-26(32)24-14-18-6-5-17(11-21(18)16-30-24)12-25(31)23-3-1-9-29-23;26-22-6-4-18(25-2-1-11-31-25)12-19(22)15-24(30)23-14-17-3-5-21(13-20(17)16-28-23)29-9-7-27-8-10-29/h3,5-9,11-12,14-15,17,25H,2,4,10,13,16,29H2,1H3;1-8,13-15,17,30H,9-12,16,29H2;2,4-8,10-11,13-14,16,23,29H,1,3,9,12,15,28H2;1-6,11-14,16,27H,7-10,15,26H2
InChIKeyNHCKALAHTMHBPL-UHFFFAOYSA-N
MW1778.21 g/mol
LogP18.38
Rot. Bonds24

About 2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone

2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone (PubChem CID 159778910) has the molecular formula C107H101FN14O7S2 and a molecular weight of 1778.21 g/mol. Its IUPAC name is 2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone
PubChem CID159778910
Molecular FormulaC107H101FN14O7S2
Molecular Weight1778.21 g/mol
Exact Mass1776.74
IUPAC Name2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone
SMILESCN1CCCC1C(=O)Cc1ccc2cc(C(=O)Cc3cc(-c4cccs4)ccc3N)ncc2c1.Nc1ccc(-c2ccc(F)cc2)cc1CC(=O)c1cc2ccc(N3CCNCC3)cc2cn1.Nc1ccc(-c2ccco2)cc1CC(=O)c1cc2ccc(N3CCNCC3)cc2cn1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cc2ccc(CC(=O)C3CCCN3)cc2cn1
InChIInChI=1S/C28H27N3O2S.C27H25FN4O.C27H25N3O2S.C25H24N4O2/c1-31-10-2-4-25(31)27(33)13-18-6-7-19-15-24(30-17-22(19)12-18)26(32)16-21-14-20(8-9-23(21)29)28-5-3-11-34-28;28-23-5-1-18(2-6-23)19-4-8-25(29)21(13-19)16-27(33)26-15-20-3-7-24(14-22(20)17-31-26)32-11-9-30-10-12-32;28-22-8-7-19(27-4-2-10-33-27)13-20(22)15-26(32)24-14-18-6-5-17(11-21(18)16-30-24)12-25(31)23-3-1-9-29-23;26-22-6-4-18(25-2-1-11-31-25)12-19(22)15-24(30)23-14-17-3-5-21(13-20(17)16-28-23)29-9-7-27-8-10-29/h3,5-9,11-12,14-15,17,25H,2,4,10,13,16,29H2,1H3;1-8,13-15,17,30H,9-12,16,29H2;2,4-8,10-11,13-14,16,23,29H,1,3,9,12,15,28H2;1-6,11-14,16,27H,7-10,15,26H2
InChIKeyNHCKALAHTMHBPL-UHFFFAOYSA-N
XLogP18.38
TPSA317.01 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001778.21
LogP ≤ 518.38
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone with MolForge

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Related Compounds

15-(1-benzothiophen-3-yl)-17-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;15-(9-phenylcarbazol-3-yl)-10-oxa-19,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 157258443
2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 160698116
9-(furan-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(1H-inden-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-[1,3]oxazino[5,4-c]quinolin-2-one
CID 162166628
tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene
CID 165007738
2-[[2-[2-[2-[2-[4-(furan-2-yl)-3-thiophen-2-yl-1H-pyrrol-2-yl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 91399156
2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 123289308
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123724688
(2R,3S)-2-amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane
CID 157110251
2-Amino-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-amino-3-hydroxy-3-(4-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one;2-amino-3-hydroxy-3-(4-phenylphenyl)-1-pyrrolidin-1-ylpropan-1-one;2-amino-3-hydroxy-1-piperidin-1-yl-3-pyridin-4-ylpropan-1-one;2-amino-3-hydroxy-1-piperidin-1-yl-3-thiophen-3-ylpropan-1-one;2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-4-ylpropan-1-one;2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane
CID 157110252
17,23-dinaphthalen-2-yl-18,22-diphenyl-6,34-dioxanonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(21),2,4(16),5(13),7,9,11,14,17,19,22,24(36),25,27(35),28,30,32-heptadecaene;N,N-diphenyl-4-[19-[4-(N-phenylanilino)phenyl]-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl]aniline;7-(14,18-diphenyl-19-quinolin-7-yl-6,26-dithiaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(17),2,4(12),5(9),7,10,13,15,18,20(28),21,23(27),24-tridecaen-13-yl)quinoline;7-(19-quinolin-7-yl-6,26-dioxaheptacyclo[15.11.0.03,15.04,12.05,9.020,28.023,27]octacosa-1(28),2,4(12),5(9),7,10,13,15,17,19,21,23(27),24-tridecaen-13-yl)quinoline
CID 157318870
2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline
CID 157394651
(7-Carbazol-9-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-9-yl)-diphenylsilane;(7-dibenzofuran-4-yltetraphenylen-2-yl)-diphenyl-(10-phenyl-3-oxa-10,16,19-triazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)silane;(7-dibenzothiophen-4-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-4-yl)-diphenylsilane
CID 157462338

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone?
The IUPAC name of 2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone (CID 159778910) is 2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone.
What is the SMILES notation for 2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone?
The canonical SMILES for 2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone is CN1CCCC1C(=O)Cc1ccc2cc(C(=O)Cc3cc(-c4cccs4)ccc3N)ncc2c1.Nc1ccc(-c2ccc(F)cc2)cc1CC(=O)c1cc2ccc(N3CCNCC3)cc2cn1.Nc1ccc(-c2ccco2)cc1CC(=O)c1cc2ccc(N3CCNCC3)cc2cn1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cc2ccc(CC(=O)C3CCCN3)cc2cn1.
What is the InChIKey of 2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone?
The InChIKey is NHCKALAHTMHBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2S.C27H25FN4O.C27H25N3O2S.C25H24N4O2/c1-31-10-2-4-25(31)27(33)13-18-6-7-19-15-24(30-17-22(19)12-18)26(32)16-21-14-20(8-9-23(21)29)28-5-3-11-34-28;28-23-5-1-18(2-6-23)19-4-8-25(29)21(13-19)16-27(33)26-15-20-3-7-24(14-22(20)17-31-26)32-11-9-30-10-12-32;28-22-8-7-19(27-4-2-10-33-27)13-20(22)15-26(32)24-14-18-6-5-17(11-21(18)16-30-24)12-25(31)23-3-1-9-29-23;26-22-6-4-18(25-2-1-11-31-25)12-19(22)15-24(30)23-14-17-3-5-21(13-20(17)16-28-23)29-9-7-27-8-10-29/h3,5-9,11-12,14-15,17,25H,2,4,10,13,16,29H2,1H3;1-8,13-15,17,30H,9-12,16,29H2;2,4-8,10-11,13-14,16,23,29H,1,3,9,12,15,28H2;1-6,11-14,16,27H,7-10,15,26H2.
What are the key properties of 2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone?
2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone has a molecular weight of 1778.21 g/mol, XLogP of 18.38, 24 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-(1-methylpyrrolidin-2-yl)ethanone;2-[3-[2-(2-amino-5-thiophen-2-ylphenyl)acetyl]isoquinolin-7-yl]-1-pyrrolidin-2-ylethanone is sourced from PubChem (CID 159778910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).