5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-5-[(4-ethanimidoylbenzoyl)amino]-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide

C100H93Cl5N34O10 — CID 159570408

IUPAC5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-5-[(4-ethanimidoylbenzoyl)amino]-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCCC1.[H]/N=C(\C)c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1.[H]/N=C(\N)c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1
InChIInChI=1S/C22H22ClN7O2.C21H20ClN7O2.C20H18ClN7O2.C19H17ClN6O2.C18H16ClN7O2/c1-29-20(17(13-26-29)22(32)27-18-9-8-16(23)12-25-18)28-21(31)15-6-4-14(5-7-15)19(24)30-10-2-3-11-30;1-28-19(16(12-25-28)21(31)26-17-8-7-15(22)11-24-17)27-20(30)14-5-3-13(4-6-14)18(23)29-9-2-10-29;1-27-18(15(11-24-27)20(30)25-16-7-6-14(21)10-23-16)26-19(29)13-4-2-12(3-5-13)17(22)28-8-9-28;1-11(21)12-3-5-13(6-4-12)18(27)25-17-15(10-23-26(17)2)19(28)24-16-8-7-14(20)9-22-16;1-26-16(25-17(27)11-4-2-10(3-5-11)15(20)21)13(9-23-26)18(28)24-14-7-6-12(19)8-22-14/h4-9,12-13,24H,2-3,10-11H2,1H3,(H,28,31)(H,25,27,32);3-8,11-12,23H,2,9-10H2,1H3,(H,27,30)(H,24,26,31);2-7,10-11,22H,8-9H2,1H3,(H,26,29)(H,23,25,30);3-10,21H,1-2H3,(H,25,27)(H,22,24,28);2-9H,1H3,(H3,20,21)(H,25,27)(H,22,24,28)/b24-19-;23-18-;22-17-;21-11+;
InChIKeyMHSWPFFXHPMWHU-OPCURBOQSA-N
MW2108.34 g/mol
LogP14.63
Rot. Bonds25

About 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-5-[(4-ethanimidoylbenzoyl)amino]-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide

5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-5-[(4-ethanimidoylbenzoyl)amino]-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide (PubChem CID 159570408) has the molecular formula C100H93Cl5N34O10 and a molecular weight of 2108.34 g/mol. Its IUPAC name is 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-5-[(4-ethanimidoylbenzoyl)amino]-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-5-[(4-ethanimidoylbenzoyl)amino]-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
PubChem CID159570408
Molecular FormulaC100H93Cl5N34O10
Molecular Weight2108.34 g/mol
Exact Mass2104.63
IUPAC Name5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-5-[(4-ethanimidoylbenzoyl)amino]-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCCC1.[H]/N=C(\C)c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1.[H]/N=C(\N)c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1
InChIInChI=1S/C22H22ClN7O2.C21H20ClN7O2.C20H18ClN7O2.C19H17ClN6O2.C18H16ClN7O2/c1-29-20(17(13-26-29)22(32)27-18-9-8-16(23)12-25-18)28-21(31)15-6-4-14(5-7-15)19(24)30-10-2-3-11-30;1-28-19(16(12-25-28)21(31)26-17-8-7-15(22)11-24-17)27-20(30)14-5-3-13(4-6-14)18(23)29-9-2-10-29;1-27-18(15(11-24-27)20(30)25-16-7-6-14(21)10-23-16)26-19(29)13-4-2-12(3-5-13)17(22)28-8-9-28;1-11(21)12-3-5-13(6-4-12)18(27)25-17-15(10-23-26(17)2)19(28)24-16-8-7-14(20)9-22-16;1-26-16(25-17(27)11-4-2-10(3-5-11)15(20)21)13(9-23-26)18(28)24-14-7-6-12(19)8-22-14/h4-9,12-13,24H,2-3,10-11H2,1H3,(H,28,31)(H,25,27,32);3-8,11-12,23H,2,9-10H2,1H3,(H,27,30)(H,24,26,31);2-7,10-11,22H,8-9H2,1H3,(H,26,29)(H,23,25,30);3-10,21H,1-2H3,(H,25,27)(H,22,24,28);2-9H,1H3,(H3,20,21)(H,25,27)(H,22,24,28)/b24-19-;23-18-;22-17-;21-11+;
InChIKeyMHSWPFFXHPMWHU-OPCURBOQSA-N
XLogP14.63
TPSA599.31 Ų
H-Bond Donors16
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002108.34
LogP ≤ 514.63
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-5-[(4-ethanimidoylbenzoyl)amino]-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-fluoro-2-pyridinyl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-6-fluoro-2-pyridinyl]benzamide;2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-6-fluoro-2-pyridinyl]benzamide;N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-fluoro-5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 158189406
2-chloro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-fluoro-2-pyridinyl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-6-fluoro-2-pyridinyl]benzamide;2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-[1-ethyl-4-(trifluoromethyl)pyrrol-2-yl]-6-fluoro-2-pyridinyl]benzamide;N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-fluoro-5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 158620504
2-chloro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[5-(3-cyclopropyl-1-methylpyrazol-5-yl)-6-fluoro-2-pyridinyl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-6-fluoro-2-pyridinyl]benzamide;2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-fluoro-5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 159356410
2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-6-fluoro-2-pyridinyl]benzamide;2-chloro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]benzamide;N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 161182065
2-chloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide;2,6-dichloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide
CID 161538294
5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylphenyl)methylamino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide;hydrate
CID 157378289
N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 157472252
1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide;1-benzyl-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide
CID 157706081
N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 157717051
N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 157886396
N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]propanamide;N-[4-[3-(2-isocyanophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;2-methoxyethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate;N-[5-methyl-4-[3-phenyl-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]acetamide
CID 157920234
5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)ethyl]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;hydrate
CID 158044466

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-5-[(4-ethanimidoylbenzoyl)amino]-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?
The IUPAC name of 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-5-[(4-ethanimidoylbenzoyl)amino]-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide (CID 159570408) is 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-5-[(4-ethanimidoylbenzoyl)amino]-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide.
What is the SMILES notation for 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-5-[(4-ethanimidoylbenzoyl)amino]-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?
The canonical SMILES for 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-5-[(4-ethanimidoylbenzoyl)amino]-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide is [H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCCC1.[H]/N=C(\C)c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1.[H]/N=C(\N)c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1.
What is the InChIKey of 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-5-[(4-ethanimidoylbenzoyl)amino]-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?
The InChIKey is MHSWPFFXHPMWHU-OPCURBOQSA-N. The full InChI is InChI=1S/C22H22ClN7O2.C21H20ClN7O2.C20H18ClN7O2.C19H17ClN6O2.C18H16ClN7O2/c1-29-20(17(13-26-29)22(32)27-18-9-8-16(23)12-25-18)28-21(31)15-6-4-14(5-7-15)19(24)30-10-2-3-11-30;1-28-19(16(12-25-28)21(31)26-17-8-7-15(22)11-24-17)27-20(30)14-5-3-13(4-6-14)18(23)29-9-2-10-29;1-27-18(15(11-24-27)20(30)25-16-7-6-14(21)10-23-16)26-19(29)13-4-2-12(3-5-13)17(22)28-8-9-28;1-11(21)12-3-5-13(6-4-12)18(27)25-17-15(10-23-26(17)2)19(28)24-16-8-7-14(20)9-22-16;1-26-16(25-17(27)11-4-2-10(3-5-11)15(20)21)13(9-23-26)18(28)24-14-7-6-12(19)8-22-14/h4-9,12-13,24H,2-3,10-11H2,1H3,(H,28,31)(H,25,27,32);3-8,11-12,23H,2,9-10H2,1H3,(H,27,30)(H,24,26,31);2-7,10-11,22H,8-9H2,1H3,(H,26,29)(H,23,25,30);3-10,21H,1-2H3,(H,25,27)(H,22,24,28);2-9H,1H3,(H3,20,21)(H,25,27)(H,22,24,28)/b24-19-;23-18-;22-17-;21-11+;.
What are the key properties of 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-5-[(4-ethanimidoylbenzoyl)amino]-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?
5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-5-[(4-ethanimidoylbenzoyl)amino]-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide has a molecular weight of 2108.34 g/mol, XLogP of 14.63, 25 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;5-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-5-[(4-ethanimidoylbenzoyl)amino]-1-methylpyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide is sourced from PubChem (CID 159570408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).