2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-N-methylacetamide;2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-1-pyrrolidin-1-ylethanone;8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]-N-(oxan-4-yl)isoquinoline-1-carboxamide;2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxy-1-piperidin-1-ylethanone

C92H92Cl4N22O8 — CID 158151699

IUPAC2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-N-methylacetamide;2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-1-pyrrolidin-1-ylethanone;8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]-N-(oxan-4-yl)isoquinoline-1-carboxamide;2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxy-1-piperidin-1-ylethanone
SMILESCNC(=O)COc1nc([C@H](C)Cc2nccc3[nH]cnc23)cc2cccc(Cl)c12.C[C@H](Cc1nccc2[nH]cnc12)c1cc2cccc(Cl)c2c(C(=O)NC2CCOCC2)n1.C[C@H](Cc1nccc2[nH]cnc12)c1cc2cccc(Cl)c2c(OCC(=O)N2CCCC2)n1.C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(OCC(=O)N2CCCCC2)n1
InChIInChI=1S/2C24H24ClN5O2.C23H24ClN7O2.C21H20ClN5O2/c1-15(11-20-23-18(7-8-26-20)27-14-28-23)19-12-16-5-4-6-17(25)22(16)24(29-19)32-13-21(31)30-9-2-3-10-30;1-14(11-20-22-18(5-8-26-20)27-13-28-22)19-12-15-3-2-4-17(25)21(15)23(30-19)24(31)29-16-6-9-32-10-7-16;1-14(29-22-20-21(26-12-25-20)27-13-28-22)17-10-15-6-5-7-16(24)19(15)23(30-17)33-11-18(32)31-8-3-2-4-9-31;1-12(8-17-20-15(6-7-24-17)25-11-26-20)16-9-13-4-3-5-14(22)19(13)21(27-16)29-10-18(28)23-2/h4-8,12,14-15H,2-3,9-11,13H2,1H3,(H,27,28);2-5,8,12-14,16H,6-7,9-11H2,1H3,(H,27,28)(H,29,31);5-7,10,12-14H,2-4,8-9,11H2,1H3,(H2,25,26,27,28,29);3-7,9,11-12H,8,10H2,1-2H3,(H,23,28)(H,25,26)/t15-;2*14-;12-/m1101/s1
InChIKeyFVEPLNWKTPCBHZ-XXMMTKDGSA-N
MW1775.71 g/mol
LogP16.67
Rot. Bonds23

About 2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-N-methylacetamide;2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-1-pyrrolidin-1-ylethanone;8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]-N-(oxan-4-yl)isoquinoline-1-carboxamide;2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxy-1-piperidin-1-ylethanone

2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-N-methylacetamide;2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-1-pyrrolidin-1-ylethanone;8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]-N-(oxan-4-yl)isoquinoline-1-carboxamide;2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxy-1-piperidin-1-ylethanone (PubChem CID 158151699) has the molecular formula C92H92Cl4N22O8 and a molecular weight of 1775.71 g/mol. Its IUPAC name is 2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-N-methylacetamide;2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-1-pyrrolidin-1-ylethanone;8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]-N-(oxan-4-yl)isoquinoline-1-carboxamide;2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxy-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-N-methylacetamide;2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-1-pyrrolidin-1-ylethanone;8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]-N-(oxan-4-yl)isoquinoline-1-carboxamide;2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxy-1-piperidin-1-ylethanone
PubChem CID158151699
Molecular FormulaC92H92Cl4N22O8
Molecular Weight1775.71 g/mol
Exact Mass1772.62
IUPAC Name2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-N-methylacetamide;2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-1-pyrrolidin-1-ylethanone;8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]-N-(oxan-4-yl)isoquinoline-1-carboxamide;2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxy-1-piperidin-1-ylethanone
SMILESCNC(=O)COc1nc([C@H](C)Cc2nccc3[nH]cnc23)cc2cccc(Cl)c12.C[C@H](Cc1nccc2[nH]cnc12)c1cc2cccc(Cl)c2c(C(=O)NC2CCOCC2)n1.C[C@H](Cc1nccc2[nH]cnc12)c1cc2cccc(Cl)c2c(OCC(=O)N2CCCC2)n1.C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(OCC(=O)N2CCCCC2)n1
InChIInChI=1S/2C24H24ClN5O2.C23H24ClN7O2.C21H20ClN5O2/c1-15(11-20-23-18(7-8-26-20)27-14-28-23)19-12-16-5-4-6-17(25)22(16)24(29-19)32-13-21(31)30-9-2-3-10-30;1-14(11-20-22-18(5-8-26-20)27-13-28-22)19-12-15-3-2-4-17(25)21(15)23(30-19)24(31)29-16-6-9-32-10-7-16;1-14(29-22-20-21(26-12-25-20)27-13-28-22)17-10-15-6-5-7-16(24)19(15)23(30-17)33-11-18(32)31-8-3-2-4-9-31;1-12(8-17-20-15(6-7-24-17)25-11-26-20)16-9-13-4-3-5-14(22)19(13)21(27-16)29-10-18(28)23-2/h4-8,12,14-15H,2-3,9-11,13H2,1H3,(H,27,28);2-5,8,12-14,16H,6-7,9-11H2,1H3,(H,27,28)(H,29,31);5-7,10,12-14H,2-4,8-9,11H2,1H3,(H2,25,26,27,28,29);3-7,9,11-12H,8,10H2,1-2H3,(H,23,28)(H,25,26)/t15-;2*14-;12-/m1101/s1
InChIKeyFVEPLNWKTPCBHZ-XXMMTKDGSA-N
XLogP16.67
TPSA378.50 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001775.71
LogP ≤ 516.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-N-methylacetamide;2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-1-pyrrolidin-1-ylethanone;8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]-N-(oxan-4-yl)isoquinoline-1-carboxamide;2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxy-1-piperidin-1-ylethanone with MolForge

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Related Compounds

CID 163709343
CID 163709343
3-[6-[4-[[3-[6-[5-chloro-1-methyl-4-(pyrrolidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-4-yl]pyrrolidin-1-yl]methyl]-8-(2-methoxyethoxy)-1,5-naphthyridin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169206351
N-[(1S)-1-[8-chloro-1-[1-(methyl-methylidene-oxo-lambda6-sulfanyl)piperidin-4-yl]oxyisoquinolin-3-yl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;N-[(1S)-1-[8-chloro-1-(1-propan-2-ylpiperidin-4-yl)oxyisoquinolin-3-yl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;[8-chloro-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone;1-[8-chloro-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-yl]-2-(oxan-4-yl)ethanone
CID 157260562
(4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 157310335
N-benzyl-4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-methyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyridin-2-one;(5-chloro-7-quinolin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 157387268
[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-naphthalen-1-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(1H-pyrrol-2-yl)piperidin-1-yl]methanone
CID 157474740
2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxyacetic acid;N-[(1S)-1-(1,8-dichloroisoquinolin-3-yl)ethyl]-7H-purin-6-amine;methyl 2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxyacetate
CID 157494403
[8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-yl]-morpholin-4-ylmethanone;[8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone;[8-chloro-3-[(1S)-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]isoquinolin-1-yl]-morpholin-4-ylmethanone;[8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]isoquinolin-1-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 157526798
8-chloro-N,N-dimethyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-amine;1-[4-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]piperazin-1-yl]ethanone;N-[(1S)-1-[8-chloro-1-(2-pyrrolidin-1-ylethoxy)isoquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 157662047
N-[1-[8-chloro-1-[2-[4-(methyl-methylidene-oxo-lambda6-sulfanyl)piperazin-1-yl]ethyl]isoquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-1-(2-morpholin-4-ylethyl)isoquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-1-(2-pyrrolidin-1-ylethyl)isoquinolin-3-yl]ethyl]-7H-purin-6-amine;N-[1-[8-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methoxy]isoquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 157823200
1-[4-[8-chloro-3-[1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxypiperidin-1-yl]ethanone;1-[4-[8-methyl-3-[1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxypiperidin-1-yl]ethanone;1-[4-[5-methyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-yl]oxypiperidin-1-yl]ethanone;1-[4-[3-[1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxypiperidin-1-yl]ethanone
CID 157908846
(4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[7-(1-benzylpyrrolo[2,3-b]pyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-cyclobutylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 158289893

Frequently Asked Questions

What is the IUPAC name of 2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-N-methylacetamide;2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-1-pyrrolidin-1-ylethanone;8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]-N-(oxan-4-yl)isoquinoline-1-carboxamide;2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxy-1-piperidin-1-ylethanone?
The IUPAC name of 2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-N-methylacetamide;2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-1-pyrrolidin-1-ylethanone;8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]-N-(oxan-4-yl)isoquinoline-1-carboxamide;2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxy-1-piperidin-1-ylethanone (CID 158151699) is 2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-N-methylacetamide;2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-1-pyrrolidin-1-ylethanone;8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]-N-(oxan-4-yl)isoquinoline-1-carboxamide;2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxy-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-N-methylacetamide;2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-1-pyrrolidin-1-ylethanone;8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]-N-(oxan-4-yl)isoquinoline-1-carboxamide;2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxy-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-N-methylacetamide;2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-1-pyrrolidin-1-ylethanone;8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]-N-(oxan-4-yl)isoquinoline-1-carboxamide;2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxy-1-piperidin-1-ylethanone is CNC(=O)COc1nc([C@H](C)Cc2nccc3[nH]cnc23)cc2cccc(Cl)c12.C[C@H](Cc1nccc2[nH]cnc12)c1cc2cccc(Cl)c2c(C(=O)NC2CCOCC2)n1.C[C@H](Cc1nccc2[nH]cnc12)c1cc2cccc(Cl)c2c(OCC(=O)N2CCCC2)n1.C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(OCC(=O)N2CCCCC2)n1.
What is the InChIKey of 2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-N-methylacetamide;2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-1-pyrrolidin-1-ylethanone;8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]-N-(oxan-4-yl)isoquinoline-1-carboxamide;2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxy-1-piperidin-1-ylethanone?
The InChIKey is FVEPLNWKTPCBHZ-XXMMTKDGSA-N. The full InChI is InChI=1S/2C24H24ClN5O2.C23H24ClN7O2.C21H20ClN5O2/c1-15(11-20-23-18(7-8-26-20)27-14-28-23)19-12-16-5-4-6-17(25)22(16)24(29-19)32-13-21(31)30-9-2-3-10-30;1-14(11-20-22-18(5-8-26-20)27-13-28-22)19-12-15-3-2-4-17(25)21(15)23(30-19)24(31)29-16-6-9-32-10-7-16;1-14(29-22-20-21(26-12-25-20)27-13-28-22)17-10-15-6-5-7-16(24)19(15)23(30-17)33-11-18(32)31-8-3-2-4-9-31;1-12(8-17-20-15(6-7-24-17)25-11-26-20)16-9-13-4-3-5-14(22)19(13)21(27-16)29-10-18(28)23-2/h4-8,12,14-15H,2-3,9-11,13H2,1H3,(H,27,28);2-5,8,12-14,16H,6-7,9-11H2,1H3,(H,27,28)(H,29,31);5-7,10,12-14H,2-4,8-9,11H2,1H3,(H2,25,26,27,28,29);3-7,9,11-12H,8,10H2,1-2H3,(H,23,28)(H,25,26)/t15-;2*14-;12-/m1101/s1.
What are the key properties of 2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-N-methylacetamide;2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-1-pyrrolidin-1-ylethanone;8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]-N-(oxan-4-yl)isoquinoline-1-carboxamide;2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxy-1-piperidin-1-ylethanone?
2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-N-methylacetamide;2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-1-pyrrolidin-1-ylethanone;8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]-N-(oxan-4-yl)isoquinoline-1-carboxamide;2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxy-1-piperidin-1-ylethanone has a molecular weight of 1775.71 g/mol, XLogP of 16.67, 23 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-N-methylacetamide;2-[8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-yl]oxy-1-pyrrolidin-1-ylethanone;8-chloro-3-[(2R)-1-(1H-imidazo[4,5-c]pyridin-4-yl)propan-2-yl]-N-(oxan-4-yl)isoquinoline-1-carboxamide;2-[8-chloro-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-yl]oxy-1-piperidin-1-ylethanone is sourced from PubChem (CID 158151699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).