4-(5-bromo-3-pyridinyl)-2-(3-methylpyrazol-1-yl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;bis(2-methyl-1H-1,8-naphthyridin-4-one);6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide

C164H148BrCl3F6N32O24 — CID 159039001

IUPAC4-(5-bromo-3-pyridinyl)-2-(3-methylpyrazol-1-yl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;bis(2-methyl-1H-1,8-naphthyridin-4-one);6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide
SMILESC=C(C)c1cccnc1NC(=O)c1cc(C(F)(F)F)ccc1F.C=C(C)c1cccnc1NC(=O)c1cc(Cl)ccc1F.C=C(C)c1cccnc1NC(=O)c1cccc(C)n1.C=C(CC(=O)Nc1ccccn1)OCC.C=C(O)CC(=O)Nc1ccccn1.CCC(=O)c1c(O)c2cccnc2[nH]c1=O.COC(=O)C(C(=O)OC)C(=O)c1cccnc1N.COC(=O)CC(=O)c1cccnc1N.COC(=O)c1cccnc1NC(C)=O.Cc1cc(=O)c2cccnc2[nH]1.Cc1cc(=O)c2cccnc2[nH]1.Cc1cc(Cl)c2cccnc2n1.Cc1ccn(-c2cc(-c3cncc(Br)c3)c3cccnc3n2)n1.O=c1cc(-c2cc(Cl)ccc2F)[nH]c2ncccc12
InChIInChI=1S/C17H12BrN5.C16H12F4N2O.C15H12ClFN2O.C15H15N3O.C14H8ClFN2O.C11H12N2O5.C11H10N2O3.C11H14N2O2.C9H7ClN2.2C9H10N2O3.C9H10N2O2.2C9H8N2O/c1-11-4-6-23(22-11)16-8-15(12-7-13(18)10-19-9-12)14-3-2-5-20-17(14)21-16;1-9(2)11-4-3-7-21-14(11)22-15(23)12-8-10(16(18,19)20)5-6-13(12)17;1-9(2)11-4-3-7-18-14(11)19-15(20)12-8-10(16)5-6-13(12)17;1-10(2)12-7-5-9-16-14(12)18-15(19)13-8-4-6-11(3)17-13;15-8-3-4-11(16)10(6-8)12-7-13(19)9-2-1-5-17-14(9)18-12;1-17-10(15)7(11(16)18-2)8(14)6-4-3-5-13-9(6)12;1-2-7(14)8-9(15)6-4-3-5-12-10(6)13-11(8)16;1-3-15-9(2)8-11(14)13-10-6-4-5-7-12-10;1-6-5-8(10)7-3-2-4-11-9(7)12-6;1-6(12)11-8-7(9(13)14-2)4-3-5-10-8;1-14-8(13)5-7(12)6-3-2-4-11-9(6)10;1-7(12)6-9(13)11-8-4-2-3-5-10-8;2*1-6-5-8(12)7-3-2-4-10-9(7)11-6/h2-10H,1H3;3-8H,1H2,2H3,(H,21,22,23);3-8H,1H2,2H3,(H,18,19,20);4-9H,1H2,2-3H3,(H,16,18,19);1-7H,(H,17,18,19);3-5,7H,1-2H3,(H2,12,13);3-5H,2H2,1H3,(H2,12,13,15,16);4-7H,2-3,8H2,1H3,(H,12,13,14);2-5H,1H3;3-5H,1-2H3,(H,10,11,12);2-4H,5H2,1H3,(H2,10,11);2-5,12H,1,6H2,(H,10,11,13);2*2-5H,1H3,(H,10,11,12)
InChIKeyJVUUZXQMPRXSKJ-UHFFFAOYSA-N
MW3251.44 g/mol
LogP29.85
Rot. Bonds31

About 4-(5-bromo-3-pyridinyl)-2-(3-methylpyrazol-1-yl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;bis(2-methyl-1H-1,8-naphthyridin-4-one);6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide

4-(5-bromo-3-pyridinyl)-2-(3-methylpyrazol-1-yl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;bis(2-methyl-1H-1,8-naphthyridin-4-one);6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 159039001) has the molecular formula C164H148BrCl3F6N32O24 and a molecular weight of 3251.44 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-2-(3-methylpyrazol-1-yl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;bis(2-methyl-1H-1,8-naphthyridin-4-one);6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)-2-(3-methylpyrazol-1-yl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;bis(2-methyl-1H-1,8-naphthyridin-4-one);6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide
PubChem CID159039001
Molecular FormulaC164H148BrCl3F6N32O24
Molecular Weight3251.44 g/mol
Exact Mass3246.95
IUPAC Name4-(5-bromo-3-pyridinyl)-2-(3-methylpyrazol-1-yl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;bis(2-methyl-1H-1,8-naphthyridin-4-one);6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide
SMILESC=C(C)c1cccnc1NC(=O)c1cc(C(F)(F)F)ccc1F.C=C(C)c1cccnc1NC(=O)c1cc(Cl)ccc1F.C=C(C)c1cccnc1NC(=O)c1cccc(C)n1.C=C(CC(=O)Nc1ccccn1)OCC.C=C(O)CC(=O)Nc1ccccn1.CCC(=O)c1c(O)c2cccnc2[nH]c1=O.COC(=O)C(C(=O)OC)C(=O)c1cccnc1N.COC(=O)CC(=O)c1cccnc1N.COC(=O)c1cccnc1NC(C)=O.Cc1cc(=O)c2cccnc2[nH]1.Cc1cc(=O)c2cccnc2[nH]1.Cc1cc(Cl)c2cccnc2n1.Cc1ccn(-c2cc(-c3cncc(Br)c3)c3cccnc3n2)n1.O=c1cc(-c2cc(Cl)ccc2F)[nH]c2ncccc12
InChIInChI=1S/C17H12BrN5.C16H12F4N2O.C15H12ClFN2O.C15H15N3O.C14H8ClFN2O.C11H12N2O5.C11H10N2O3.C11H14N2O2.C9H7ClN2.2C9H10N2O3.C9H10N2O2.2C9H8N2O/c1-11-4-6-23(22-11)16-8-15(12-7-13(18)10-19-9-12)14-3-2-5-20-17(14)21-16;1-9(2)11-4-3-7-21-14(11)22-15(23)12-8-10(16(18,19)20)5-6-13(12)17;1-9(2)11-4-3-7-18-14(11)19-15(20)12-8-10(16)5-6-13(12)17;1-10(2)12-7-5-9-16-14(12)18-15(19)13-8-4-6-11(3)17-13;15-8-3-4-11(16)10(6-8)12-7-13(19)9-2-1-5-17-14(9)18-12;1-17-10(15)7(11(16)18-2)8(14)6-4-3-5-13-9(6)12;1-2-7(14)8-9(15)6-4-3-5-12-10(6)13-11(8)16;1-3-15-9(2)8-11(14)13-10-6-4-5-7-12-10;1-6-5-8(10)7-3-2-4-11-9(7)12-6;1-6(12)11-8-7(9(13)14-2)4-3-5-10-8;1-14-8(13)5-7(12)6-3-2-4-11-9(6)10;1-7(12)6-9(13)11-8-4-2-3-5-10-8;2*1-6-5-8(12)7-3-2-4-10-9(7)11-6/h2-10H,1H3;3-8H,1H2,2H3,(H,21,22,23);3-8H,1H2,2H3,(H,18,19,20);4-9H,1H2,2-3H3,(H,16,18,19);1-7H,(H,17,18,19);3-5,7H,1-2H3,(H2,12,13);3-5H,2H2,1H3,(H2,12,13,15,16);4-7H,2-3,8H2,1H3,(H,12,13,14);2-5H,1H3;3-5H,1-2H3,(H,10,11,12);2-4H,5H2,1H3,(H2,10,11);2-5,12H,1,6H2,(H,10,11,13);2*2-5H,1H3,(H,10,11,12)
InChIKeyJVUUZXQMPRXSKJ-UHFFFAOYSA-N
XLogP29.85
TPSA814.02 Ų
H-Bond Donors14
H-Bond Acceptors46
Rotatable Bonds31
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003251.44
LogP ≤ 529.85
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-(5-bromo-3-pyridinyl)-2-(3-methylpyrazol-1-yl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;bis(2-methyl-1H-1,8-naphthyridin-4-one);6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-(5-bromo-3-pyridinyl)-2-(3-methylpyrazol-1-yl)-1,8-naphthyridine;5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methyl 2-acetamidopyridine-3-carboxylate;methyl 2-(2-aminopyridine-3-carbonyl)-3-methoxybut-3-enoate;methyl 3-(2-amino-3-pyridinyl)-3-hydroxypropanoate;6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide
CID 158221769
5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-1H-1,8-naphthyridin-2-one;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methane;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;2-methyl-1H-1,8-naphthyridin-4-one;6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide
CID 158840636

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)-2-(3-methylpyrazol-1-yl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;bis(2-methyl-1H-1,8-naphthyridin-4-one);6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 4-(5-bromo-3-pyridinyl)-2-(3-methylpyrazol-1-yl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;bis(2-methyl-1H-1,8-naphthyridin-4-one);6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide (CID 159039001) is 4-(5-bromo-3-pyridinyl)-2-(3-methylpyrazol-1-yl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;bis(2-methyl-1H-1,8-naphthyridin-4-one);6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-2-(3-methylpyrazol-1-yl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;bis(2-methyl-1H-1,8-naphthyridin-4-one);6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)-2-(3-methylpyrazol-1-yl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;bis(2-methyl-1H-1,8-naphthyridin-4-one);6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide is C=C(C)c1cccnc1NC(=O)c1cc(C(F)(F)F)ccc1F.C=C(C)c1cccnc1NC(=O)c1cc(Cl)ccc1F.C=C(C)c1cccnc1NC(=O)c1cccc(C)n1.C=C(CC(=O)Nc1ccccn1)OCC.C=C(O)CC(=O)Nc1ccccn1.CCC(=O)c1c(O)c2cccnc2[nH]c1=O.COC(=O)C(C(=O)OC)C(=O)c1cccnc1N.COC(=O)CC(=O)c1cccnc1N.COC(=O)c1cccnc1NC(C)=O.Cc1cc(=O)c2cccnc2[nH]1.Cc1cc(=O)c2cccnc2[nH]1.Cc1cc(Cl)c2cccnc2n1.Cc1ccn(-c2cc(-c3cncc(Br)c3)c3cccnc3n2)n1.O=c1cc(-c2cc(Cl)ccc2F)[nH]c2ncccc12.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)-2-(3-methylpyrazol-1-yl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;bis(2-methyl-1H-1,8-naphthyridin-4-one);6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is JVUUZXQMPRXSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5.C16H12F4N2O.C15H12ClFN2O.C15H15N3O.C14H8ClFN2O.C11H12N2O5.C11H10N2O3.C11H14N2O2.C9H7ClN2.2C9H10N2O3.C9H10N2O2.2C9H8N2O/c1-11-4-6-23(22-11)16-8-15(12-7-13(18)10-19-9-12)14-3-2-5-20-17(14)21-16;1-9(2)11-4-3-7-21-14(11)22-15(23)12-8-10(16(18,19)20)5-6-13(12)17;1-9(2)11-4-3-7-18-14(11)19-15(20)12-8-10(16)5-6-13(12)17;1-10(2)12-7-5-9-16-14(12)18-15(19)13-8-4-6-11(3)17-13;15-8-3-4-11(16)10(6-8)12-7-13(19)9-2-1-5-17-14(9)18-12;1-17-10(15)7(11(16)18-2)8(14)6-4-3-5-13-9(6)12;1-2-7(14)8-9(15)6-4-3-5-12-10(6)13-11(8)16;1-3-15-9(2)8-11(14)13-10-6-4-5-7-12-10;1-6-5-8(10)7-3-2-4-11-9(7)12-6;1-6(12)11-8-7(9(13)14-2)4-3-5-10-8;1-14-8(13)5-7(12)6-3-2-4-11-9(6)10;1-7(12)6-9(13)11-8-4-2-3-5-10-8;2*1-6-5-8(12)7-3-2-4-10-9(7)11-6/h2-10H,1H3;3-8H,1H2,2H3,(H,21,22,23);3-8H,1H2,2H3,(H,18,19,20);4-9H,1H2,2-3H3,(H,16,18,19);1-7H,(H,17,18,19);3-5,7H,1-2H3,(H2,12,13);3-5H,2H2,1H3,(H2,12,13,15,16);4-7H,2-3,8H2,1H3,(H,12,13,14);2-5H,1H3;3-5H,1-2H3,(H,10,11,12);2-4H,5H2,1H3,(H2,10,11);2-5,12H,1,6H2,(H,10,11,13);2*2-5H,1H3,(H,10,11,12).
What are the key properties of 4-(5-bromo-3-pyridinyl)-2-(3-methylpyrazol-1-yl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;bis(2-methyl-1H-1,8-naphthyridin-4-one);6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide?
4-(5-bromo-3-pyridinyl)-2-(3-methylpyrazol-1-yl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;bis(2-methyl-1H-1,8-naphthyridin-4-one);6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 3251.44 g/mol, XLogP of 29.85, 31 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-pyridinyl)-2-(3-methylpyrazol-1-yl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-4-one;5-chloro-2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)benzamide;4-chloro-2-methyl-1,8-naphthyridine;dimethyl 2-(2-aminopyridine-3-carbonyl)propanedioate;3-ethoxy-N-pyridin-2-ylbut-3-enamide;2-fluoro-N-(3-prop-1-en-2-yl-2-pyridinyl)-5-(trifluoromethyl)benzamide;4-hydroxy-3-propanoyl-1H-1,8-naphthyridin-2-one;3-hydroxy-N-pyridin-2-ylbut-3-enamide;methyl 2-acetamidopyridine-3-carboxylate;methyl 3-(2-amino-3-pyridinyl)-3-oxopropanoate;bis(2-methyl-1H-1,8-naphthyridin-4-one);6-methyl-N-(3-prop-1-en-2-yl-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 159039001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).