1-(1-cyclobutyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone

C185H219F3N30O10 — CID 159825756

IUPAC1-(1-cyclobutyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone
SMILESCC(C)CN1CCC[C@@H](C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CC(C)CN1CCC[C@H](C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CC(C)OCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CCCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.COCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)C4(F)CCN(C5CCC5)CC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCCCC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCCCC4)cc3c2)cn1
InChIInChI=1S/C25H31FN4O2.C24H27FN4O.2C24H30N4O.C23H27FN4O2.C23H28N4O.2C21H23N3O/c1-18(2)32-11-10-30-8-6-25(26,7-9-30)24(31)14-23-13-21-12-19(4-5-20(21)15-27-23)22-16-28-29(3)17-22;1-28-16-20(15-27-28)17-5-6-18-14-26-21(12-19(18)11-17)13-23(30)24(25)7-9-29(10-8-24)22-3-2-4-22;2*1-17(2)14-28-8-4-5-20(16-28)24(29)11-23-10-21-9-18(6-7-19(21)12-25-23)22-13-26-27(3)15-22;1-27-16-20(15-26-27)17-3-4-18-14-25-21(12-19(18)11-17)13-22(29)23(24)5-7-28(8-6-23)9-10-30-2;1-3-8-27-9-6-17(7-10-27)23(28)13-22-12-20-11-18(4-5-19(20)14-24-22)21-15-25-26(2)16-21;2*1-24-14-19(13-23-24)16-7-8-17-12-22-20(10-18(17)9-16)11-21(25)15-5-3-2-4-6-15/h4-5,12-13,15-18H,6-11,14H2,1-3H3;5-6,11-12,14-16,22H,2-4,7-10,13H2,1H3;2*6-7,9-10,12-13,15,17,20H,4-5,8,11,14,16H2,1-3H3;3-4,11-12,14-16H,5-10,13H2,1-2H3;4-5,11-12,14-17H,3,6-10,13H2,1-2H3;2*7-10,12-15H,2-6,11H2,1H3/t;;2*20-;;;;/m..10..../s1
InChIKeyNMURUIAMJPHDKU-OTBBDMQXSA-N
MW3079.98 g/mol
LogP32.03
Rot. Bonds46

About 1-(1-cyclobutyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone

1-(1-cyclobutyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone (PubChem CID 159825756) has the molecular formula C185H219F3N30O10 and a molecular weight of 3079.98 g/mol. Its IUPAC name is 1-(1-cyclobutyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-cyclobutyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone
PubChem CID159825756
Molecular FormulaC185H219F3N30O10
Molecular Weight3079.98 g/mol
Exact Mass3077.75
IUPAC Name1-(1-cyclobutyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone
SMILESCC(C)CN1CCC[C@@H](C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CC(C)CN1CCC[C@H](C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CC(C)OCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CCCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.COCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)C4(F)CCN(C5CCC5)CC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCCCC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCCCC4)cc3c2)cn1
InChIInChI=1S/C25H31FN4O2.C24H27FN4O.2C24H30N4O.C23H27FN4O2.C23H28N4O.2C21H23N3O/c1-18(2)32-11-10-30-8-6-25(26,7-9-30)24(31)14-23-13-21-12-19(4-5-20(21)15-27-23)22-16-28-29(3)17-22;1-28-16-20(15-27-28)17-5-6-18-14-26-21(12-19(18)11-17)13-23(30)24(25)7-9-29(10-8-24)22-3-2-4-22;2*1-17(2)14-28-8-4-5-20(16-28)24(29)11-23-10-21-9-18(6-7-19(21)12-25-23)22-13-26-27(3)15-22;1-27-16-20(15-26-27)17-3-4-18-14-25-21(12-19(18)11-17)13-22(29)23(24)5-7-28(8-6-23)9-10-30-2;1-3-8-27-9-6-17(7-10-27)23(28)13-22-12-20-11-18(4-5-19(20)14-24-22)21-15-25-26(2)16-21;2*1-24-14-19(13-23-24)16-7-8-17-12-22-20(10-18(17)9-16)11-21(25)15-5-3-2-4-6-15/h4-5,12-13,15-18H,6-11,14H2,1-3H3;5-6,11-12,14-16,22H,2-4,7-10,13H2,1H3;2*6-7,9-10,12-13,15,17,20H,4-5,8,11,14,16H2,1-3H3;3-4,11-12,14-16H,5-10,13H2,1-2H3;4-5,11-12,14-17H,3,6-10,13H2,1-2H3;2*7-10,12-15H,2-6,11H2,1H3/t;;2*20-;;;;/m..10..../s1
InChIKeyNMURUIAMJPHDKU-OTBBDMQXSA-N
XLogP32.03
TPSA420.14 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds46
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003079.98
LogP ≤ 532.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 1-(1-cyclobutyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[3-fluoro-1-(2-propan-2-yloxyethyl)azetidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 148508280
1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 159778819
1-(1-ethyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 148650012
1-(1-cyclobutylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 158158520
1-[1-(hydroxymethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 159155935
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone
CID 161079189
methyl 4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]cyclohexane-1-carboxylate
CID 149324003
1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 158095847
1-[1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 159972288
1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 149206774
1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 147308909
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]ethanone
CID 147197229

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(1-cyclobutyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone (CID 159825756) is 1-(1-cyclobutyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1-cyclobutyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1-cyclobutyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone is CC(C)CN1CCC[C@@H](C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CC(C)CN1CCC[C@H](C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CC(C)OCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CCCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.COCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)C4(F)CCN(C5CCC5)CC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCCCC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCCCC4)cc3c2)cn1.
What is the InChIKey of 1-(1-cyclobutyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone?
The InChIKey is NMURUIAMJPHDKU-OTBBDMQXSA-N. The full InChI is InChI=1S/C25H31FN4O2.C24H27FN4O.2C24H30N4O.C23H27FN4O2.C23H28N4O.2C21H23N3O/c1-18(2)32-11-10-30-8-6-25(26,7-9-30)24(31)14-23-13-21-12-19(4-5-20(21)15-27-23)22-16-28-29(3)17-22;1-28-16-20(15-27-28)17-5-6-18-14-26-21(12-19(18)11-17)13-23(30)24(25)7-9-29(10-8-24)22-3-2-4-22;2*1-17(2)14-28-8-4-5-20(16-28)24(29)11-23-10-21-9-18(6-7-19(21)12-25-23)22-13-26-27(3)15-22;1-27-16-20(15-26-27)17-3-4-18-14-25-21(12-19(18)11-17)13-22(29)23(24)5-7-28(8-6-23)9-10-30-2;1-3-8-27-9-6-17(7-10-27)23(28)13-22-12-20-11-18(4-5-19(20)14-24-22)21-15-25-26(2)16-21;2*1-24-14-19(13-23-24)16-7-8-17-12-22-20(10-18(17)9-16)11-21(25)15-5-3-2-4-6-15/h4-5,12-13,15-18H,6-11,14H2,1-3H3;5-6,11-12,14-16,22H,2-4,7-10,13H2,1H3;2*6-7,9-10,12-13,15,17,20H,4-5,8,11,14,16H2,1-3H3;3-4,11-12,14-16H,5-10,13H2,1-2H3;4-5,11-12,14-17H,3,6-10,13H2,1-2H3;2*7-10,12-15H,2-6,11H2,1H3/t;;2*20-;;;;/m..10..../s1.
What are the key properties of 1-(1-cyclobutyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone?
1-(1-cyclobutyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone has a molecular weight of 3079.98 g/mol, XLogP of 32.03, 46 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone is sourced from PubChem (CID 159825756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).