1-aminopropan-2-ol;4-aminopyridine-3-carboxylic acid;2-bromo-4-chloro-1-fluorobenzene;4-chloro-2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)pyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylic acid;4-chloropyridine-3-carboxylic acid;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;tripropan-2-yl borate

C154H162B2BrCl14F7N20O26 — CID 158590778

IUPAC1-aminopropan-2-ol;4-aminopyridine-3-carboxylic acid;2-bromo-4-chloro-1-fluorobenzene;4-chloro-2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)pyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylic acid;4-chloropyridine-3-carboxylic acid;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;tripropan-2-yl borate
SMILESCC(C)(O)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.CC(C)(O)c1cnc(Cl)cc1Cl.CC(C)OB(OC(C)C)OC(C)C.CC(O)CN.COC(=O)c1cnc(Cl)cc1Cl.COC(=O)c1cnccc1N.COC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1C(C)(C)OC.COC(C)(C)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.COC(C)(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NCC(C)O.COC(C)(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)O.Fc1ccc(Cl)cc1Br.Nc1ccncc1C(=O)O.O=C(O)c1cnccc1Cl.OB(O)c1cc(Cl)ccc1F
InChIInChI=1S/C24H26ClFN4O3.C22H21ClFN3O3.C21H19ClFN3O3.C15H14Cl2FNO.C14H12Cl2FNO.C9H21BO3.C8H9Cl2NO.C7H5Cl2NO2.C7H8N2O2.C6H5BClFO2.C6H3BrClF.C6H4ClNO2.C6H6N2O2.C3H9NO/c1-14(31)11-29-23(32)17-12-27-8-7-20(17)30-22-10-21(16-9-15(25)5-6-19(16)26)28-13-18(22)24(2,3)33-4;1-22(2,30-4)16-12-26-19(14-9-13(23)5-6-17(14)24)10-20(16)27-18-7-8-25-11-15(18)21(28)29-3;1-21(2,29-3)15-11-25-18(13-8-12(22)4-5-16(13)23)9-19(15)26-17-6-7-24-10-14(17)20(27)28;1-15(2,20-3)11-8-19-14(7-12(11)17)10-6-9(16)4-5-13(10)18;1-14(2,19)10-7-18-13(6-11(10)16)9-5-8(15)3-4-12(9)17;1-7(2)11-10(12-8(3)4)13-9(5)6;1-8(2,12)5-4-11-7(10)3-6(5)9;1-12-7(11)4-3-10-6(9)2-5(4)8;1-11-7(10)5-4-9-3-2-6(5)8;8-4-1-2-6(9)5(3-4)7(10)11;7-5-3-4(8)1-2-6(5)9;2*7-5-1-2-8-3-4(5)6(9)10;1-3(5)2-4/h5-10,12-14,31H,11H2,1-4H3,(H,29,32)(H,27,28,30);5-12H,1-4H3,(H,25,26,27);4-11H,1-3H3,(H,27,28)(H,24,25,26);4-8H,1-3H3;3-7,19H,1-2H3;7-9H,1-6H3;3-4,12H,1-2H3;2-3H,1H3;2-4H,1H3,(H2,8,9);1-3,10-11H;1-3H;1-3H,(H,9,10);1-3H,(H2,7,8)(H,9,10);3,5H,2,4H2,1H3
InChIKeyHUKLRFRSHFYTGO-UHFFFAOYSA-N
MW3439.96 g/mol
LogP36.79
Rot. Bonds38

About 1-aminopropan-2-ol;4-aminopyridine-3-carboxylic acid;2-bromo-4-chloro-1-fluorobenzene;4-chloro-2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)pyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylic acid;4-chloropyridine-3-carboxylic acid;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;tripropan-2-yl borate

1-aminopropan-2-ol;4-aminopyridine-3-carboxylic acid;2-bromo-4-chloro-1-fluorobenzene;4-chloro-2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)pyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylic acid;4-chloropyridine-3-carboxylic acid;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;tripropan-2-yl borate (PubChem CID 158590778) has the molecular formula C154H162B2BrCl14F7N20O26 and a molecular weight of 3439.96 g/mol. Its IUPAC name is 1-aminopropan-2-ol;4-aminopyridine-3-carboxylic acid;2-bromo-4-chloro-1-fluorobenzene;4-chloro-2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)pyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylic acid;4-chloropyridine-3-carboxylic acid;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;tripropan-2-yl borate.

Molecular Properties

Compound Name1-aminopropan-2-ol;4-aminopyridine-3-carboxylic acid;2-bromo-4-chloro-1-fluorobenzene;4-chloro-2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)pyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylic acid;4-chloropyridine-3-carboxylic acid;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;tripropan-2-yl borate
PubChem CID158590778
Molecular FormulaC154H162B2BrCl14F7N20O26
Molecular Weight3439.96 g/mol
Exact Mass3430.69
IUPAC Name1-aminopropan-2-ol;4-aminopyridine-3-carboxylic acid;2-bromo-4-chloro-1-fluorobenzene;4-chloro-2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)pyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylic acid;4-chloropyridine-3-carboxylic acid;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;tripropan-2-yl borate
SMILESCC(C)(O)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.CC(C)(O)c1cnc(Cl)cc1Cl.CC(C)OB(OC(C)C)OC(C)C.CC(O)CN.COC(=O)c1cnc(Cl)cc1Cl.COC(=O)c1cnccc1N.COC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1C(C)(C)OC.COC(C)(C)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.COC(C)(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NCC(C)O.COC(C)(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)O.Fc1ccc(Cl)cc1Br.Nc1ccncc1C(=O)O.O=C(O)c1cnccc1Cl.OB(O)c1cc(Cl)ccc1F
InChIInChI=1S/C24H26ClFN4O3.C22H21ClFN3O3.C21H19ClFN3O3.C15H14Cl2FNO.C14H12Cl2FNO.C9H21BO3.C8H9Cl2NO.C7H5Cl2NO2.C7H8N2O2.C6H5BClFO2.C6H3BrClF.C6H4ClNO2.C6H6N2O2.C3H9NO/c1-14(31)11-29-23(32)17-12-27-8-7-20(17)30-22-10-21(16-9-15(25)5-6-19(16)26)28-13-18(22)24(2,3)33-4;1-22(2,30-4)16-12-26-19(14-9-13(23)5-6-17(14)24)10-20(16)27-18-7-8-25-11-15(18)21(28)29-3;1-21(2,29-3)15-11-25-18(13-8-12(22)4-5-16(13)23)9-19(15)26-17-6-7-24-10-14(17)20(27)28;1-15(2,20-3)11-8-19-14(7-12(11)17)10-6-9(16)4-5-13(10)18;1-14(2,19)10-7-18-13(6-11(10)16)9-5-8(15)3-4-12(9)17;1-7(2)11-10(12-8(3)4)13-9(5)6;1-8(2,12)5-4-11-7(10)3-6(5)9;1-12-7(11)4-3-10-6(9)2-5(4)8;1-11-7(10)5-4-9-3-2-6(5)8;8-4-1-2-6(9)5(3-4)7(10)11;7-5-3-4(8)1-2-6(5)9;2*7-5-1-2-8-3-4(5)6(9)10;1-3(5)2-4/h5-10,12-14,31H,11H2,1-4H3,(H,29,32)(H,27,28,30);5-12H,1-4H3,(H,25,26,27);4-11H,1-3H3,(H,27,28)(H,24,25,26);4-8H,1-3H3;3-7,19H,1-2H3;7-9H,1-6H3;3-4,12H,1-2H3;2-3H,1H3;2-4H,1H3,(H2,8,9);1-3,10-11H;1-3H;1-3H,(H,9,10);1-3H,(H2,7,8)(H,9,10);3,5H,2,4H2,1H3
InChIKeyHUKLRFRSHFYTGO-UHFFFAOYSA-N
XLogP36.79
TPSA687.61 Ų
H-Bond Donors16
H-Bond Acceptors42
Rotatable Bonds38
Heavy Atoms224
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003439.96
LogP ≤ 536.79
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-aminopropan-2-ol;4-aminopyridine-3-carboxylic acid;2-bromo-4-chloro-1-fluorobenzene;4-chloro-2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)pyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylic acid;4-chloropyridine-3-carboxylic acid;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;tripropan-2-yl borate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-ol;4-aminopyridine-3-carboxylic acid;2-bromo-4-chloro-1-fluorobenzene;4-chloro-2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)pyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylic acid;4-chloropyridine-3-carboxylic acid;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;tripropan-2-yl borate?
The IUPAC name of 1-aminopropan-2-ol;4-aminopyridine-3-carboxylic acid;2-bromo-4-chloro-1-fluorobenzene;4-chloro-2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)pyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylic acid;4-chloropyridine-3-carboxylic acid;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;tripropan-2-yl borate (CID 158590778) is 1-aminopropan-2-ol;4-aminopyridine-3-carboxylic acid;2-bromo-4-chloro-1-fluorobenzene;4-chloro-2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)pyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylic acid;4-chloropyridine-3-carboxylic acid;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;tripropan-2-yl borate.
What is the SMILES notation for 1-aminopropan-2-ol;4-aminopyridine-3-carboxylic acid;2-bromo-4-chloro-1-fluorobenzene;4-chloro-2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)pyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylic acid;4-chloropyridine-3-carboxylic acid;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;tripropan-2-yl borate?
The canonical SMILES for 1-aminopropan-2-ol;4-aminopyridine-3-carboxylic acid;2-bromo-4-chloro-1-fluorobenzene;4-chloro-2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)pyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylic acid;4-chloropyridine-3-carboxylic acid;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;tripropan-2-yl borate is CC(C)(O)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.CC(C)(O)c1cnc(Cl)cc1Cl.CC(C)OB(OC(C)C)OC(C)C.CC(O)CN.COC(=O)c1cnc(Cl)cc1Cl.COC(=O)c1cnccc1N.COC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1C(C)(C)OC.COC(C)(C)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.COC(C)(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NCC(C)O.COC(C)(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)O.Fc1ccc(Cl)cc1Br.Nc1ccncc1C(=O)O.O=C(O)c1cnccc1Cl.OB(O)c1cc(Cl)ccc1F.
What is the InChIKey of 1-aminopropan-2-ol;4-aminopyridine-3-carboxylic acid;2-bromo-4-chloro-1-fluorobenzene;4-chloro-2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)pyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylic acid;4-chloropyridine-3-carboxylic acid;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;tripropan-2-yl borate?
The InChIKey is HUKLRFRSHFYTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O3.C22H21ClFN3O3.C21H19ClFN3O3.C15H14Cl2FNO.C14H12Cl2FNO.C9H21BO3.C8H9Cl2NO.C7H5Cl2NO2.C7H8N2O2.C6H5BClFO2.C6H3BrClF.C6H4ClNO2.C6H6N2O2.C3H9NO/c1-14(31)11-29-23(32)17-12-27-8-7-20(17)30-22-10-21(16-9-15(25)5-6-19(16)26)28-13-18(22)24(2,3)33-4;1-22(2,30-4)16-12-26-19(14-9-13(23)5-6-17(14)24)10-20(16)27-18-7-8-25-11-15(18)21(28)29-3;1-21(2,29-3)15-11-25-18(13-8-12(22)4-5-16(13)23)9-19(15)26-17-6-7-24-10-14(17)20(27)28;1-15(2,20-3)11-8-19-14(7-12(11)17)10-6-9(16)4-5-13(10)18;1-14(2,19)10-7-18-13(6-11(10)16)9-5-8(15)3-4-12(9)17;1-7(2)11-10(12-8(3)4)13-9(5)6;1-8(2,12)5-4-11-7(10)3-6(5)9;1-12-7(11)4-3-10-6(9)2-5(4)8;1-11-7(10)5-4-9-3-2-6(5)8;8-4-1-2-6(9)5(3-4)7(10)11;7-5-3-4(8)1-2-6(5)9;2*7-5-1-2-8-3-4(5)6(9)10;1-3(5)2-4/h5-10,12-14,31H,11H2,1-4H3,(H,29,32)(H,27,28,30);5-12H,1-4H3,(H,25,26,27);4-11H,1-3H3,(H,27,28)(H,24,25,26);4-8H,1-3H3;3-7,19H,1-2H3;7-9H,1-6H3;3-4,12H,1-2H3;2-3H,1H3;2-4H,1H3,(H2,8,9);1-3,10-11H;1-3H;1-3H,(H,9,10);1-3H,(H2,7,8)(H,9,10);3,5H,2,4H2,1H3.
What are the key properties of 1-aminopropan-2-ol;4-aminopyridine-3-carboxylic acid;2-bromo-4-chloro-1-fluorobenzene;4-chloro-2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)pyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylic acid;4-chloropyridine-3-carboxylic acid;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;tripropan-2-yl borate?
1-aminopropan-2-ol;4-aminopyridine-3-carboxylic acid;2-bromo-4-chloro-1-fluorobenzene;4-chloro-2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)pyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylic acid;4-chloropyridine-3-carboxylic acid;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;tripropan-2-yl borate has a molecular weight of 3439.96 g/mol, XLogP of 36.79, 38 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-ol;4-aminopyridine-3-carboxylic acid;2-bromo-4-chloro-1-fluorobenzene;4-chloro-2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)pyridine;2-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]propan-2-ol;(5-chloro-2-fluorophenyl)boronic acid;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylic acid;4-chloropyridine-3-carboxylic acid;2-(4,6-dichloro-3-pyridinyl)propan-2-ol;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(2-methoxypropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;tripropan-2-yl borate is sourced from PubChem (CID 158590778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).