N-[4-[3-[2-chloro-5-(diethylaminomethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-(2-ethylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate

C86H83Cl3N28O5 — CID 158552432

IUPACN-[4-[3-[2-chloro-5-(diethylaminomethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-(2-ethylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate
SMILESCCN(CC)Cc1ccc(Cl)c(-c2nn(-c3cc(NC(C)=O)ncc3C)cc2-c2ncn[nH]2)c1.CCc1ccccc1-c1nn(-c2cc(NC(C)=O)ncc2C)cc1-c1ncn[nH]1.COC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)c2)c(C)cn1.Cc1cnc(NC(=O)C2CC2)cc1-n1cc(-c2ncn[nH]2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C24H27ClN8O.C21H18ClN7O.C21H21N7O.C20H17ClN6O2/c1-5-32(6-2)12-17-7-8-20(25)18(9-17)23-19(24-27-14-28-30-24)13-33(31-23)21-10-22(29-16(4)34)26-11-15(21)3;1-12-9-23-18(26-21(30)13-6-7-13)8-17(12)29-10-15(20-24-11-25-27-20)19(28-29)14-4-2-3-5-16(14)22;1-4-15-7-5-6-8-16(15)20-17(21-23-12-24-26-21)11-28(27-20)18-9-19(25-14(3)29)22-10-13(18)2;1-12-8-22-18(25-20(28)29-2)7-17(12)27-9-14(13-5-3-4-6-16(13)21)15(10-27)19-23-11-24-26-19/h7-11,13-14H,5-6,12H2,1-4H3,(H,26,29,34)(H,27,28,30);2-5,8-11,13H,6-7H2,1H3,(H,23,26,30)(H,24,25,27);5-12H,4H2,1-3H3,(H,22,25,29)(H,23,24,26);3-11H,1-2H3,(H,22,25,28)(H,23,24,26)
InChIKeyHPWQPMVLYWBHGP-UHFFFAOYSA-N
MW1695.16 g/mol
LogP16.52
Rot. Bonds22

About N-[4-[3-[2-chloro-5-(diethylaminomethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-(2-ethylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate

N-[4-[3-[2-chloro-5-(diethylaminomethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-(2-ethylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate (PubChem CID 158552432) has the molecular formula C86H83Cl3N28O5 and a molecular weight of 1695.16 g/mol. Its IUPAC name is N-[4-[3-[2-chloro-5-(diethylaminomethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-(2-ethylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate.

Molecular Properties

Compound NameN-[4-[3-[2-chloro-5-(diethylaminomethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-(2-ethylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate
PubChem CID158552432
Molecular FormulaC86H83Cl3N28O5
Molecular Weight1695.16 g/mol
Exact Mass1692.62
IUPAC NameN-[4-[3-[2-chloro-5-(diethylaminomethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-(2-ethylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate
SMILESCCN(CC)Cc1ccc(Cl)c(-c2nn(-c3cc(NC(C)=O)ncc3C)cc2-c2ncn[nH]2)c1.CCc1ccccc1-c1nn(-c2cc(NC(C)=O)ncc2C)cc1-c1ncn[nH]1.COC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)c2)c(C)cn1.Cc1cnc(NC(=O)C2CC2)cc1-n1cc(-c2ncn[nH]2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C24H27ClN8O.C21H18ClN7O.C21H21N7O.C20H17ClN6O2/c1-5-32(6-2)12-17-7-8-20(25)18(9-17)23-19(24-27-14-28-30-24)13-33(31-23)21-10-22(29-16(4)34)26-11-15(21)3;1-12-9-23-18(26-21(30)13-6-7-13)8-17(12)29-10-15(20-24-11-25-27-20)19(28-29)14-4-2-3-5-16(14)22;1-4-15-7-5-6-8-16(15)20-17(21-23-12-24-26-21)11-28(27-20)18-9-19(25-14(3)29)22-10-13(18)2;1-12-8-22-18(25-20(28)29-2)7-17(12)27-9-14(13-5-3-4-6-16(13)21)15(10-27)19-23-11-24-26-19/h7-11,13-14H,5-6,12H2,1-4H3,(H,26,29,34)(H,27,28,30);2-5,8-11,13H,6-7H2,1H3,(H,23,26,30)(H,24,25,27);5-12H,4H2,1-3H3,(H,22,25,29)(H,23,24,26);3-11H,1-2H3,(H,22,25,28)(H,23,24,26)
InChIKeyHPWQPMVLYWBHGP-UHFFFAOYSA-N
XLogP16.52
TPSA405.10 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001695.16
LogP ≤ 516.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze N-[4-[3-[2-chloro-5-(diethylaminomethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-(2-ethylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (4-{3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-3-yl)-1H-pyrazol-1-yl}-5-methylpyridin-2-yl)carbamate
CID 71622734
(4E)-4-[[5-[(2-chloro-6-fluoro-3-methylphenyl)methylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-[(6-chloro-2-fluoro-3-methylphenyl)methylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-[(2-chloro-6-methylphenyl)methylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(3-fluoro-4-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(4-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157053880
N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 157443877
N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 157552439
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
N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;2-fluoroethyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate
CID 158027625
N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;methyl N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]carbamate;methyl N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]carbamate;2-methyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 158176795
(4E)-4-[[5-[(2-chloro-6-fluoro-3-methylphenyl)methylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-[(2-chloro-6-methylphenyl)methylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(4-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(6-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 159287686
N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 159365237
1-(2-acetamido-4-pyridinyl)-3-(2,4-dichlorophenyl)pyrazole-4-carboxamide;N-[5-bromo-4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]carbamate
CID 159482370
(4E)-4-[[5-[(2-chloro-6-fluorophenyl)methylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-[(3-chloro-2-methylphenyl)methylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,3-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(4-fluoro-3-methylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 159594761
3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 159910026

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-chloro-5-(diethylaminomethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-(2-ethylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate?
The IUPAC name of N-[4-[3-[2-chloro-5-(diethylaminomethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-(2-ethylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate (CID 158552432) is N-[4-[3-[2-chloro-5-(diethylaminomethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-(2-ethylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate.
What is the SMILES notation for N-[4-[3-[2-chloro-5-(diethylaminomethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-(2-ethylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate?
The canonical SMILES for N-[4-[3-[2-chloro-5-(diethylaminomethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-(2-ethylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate is CCN(CC)Cc1ccc(Cl)c(-c2nn(-c3cc(NC(C)=O)ncc3C)cc2-c2ncn[nH]2)c1.CCc1ccccc1-c1nn(-c2cc(NC(C)=O)ncc2C)cc1-c1ncn[nH]1.COC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)c2)c(C)cn1.Cc1cnc(NC(=O)C2CC2)cc1-n1cc(-c2ncn[nH]2)c(-c2ccccc2Cl)n1.
What is the InChIKey of N-[4-[3-[2-chloro-5-(diethylaminomethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-(2-ethylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate?
The InChIKey is HPWQPMVLYWBHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN8O.C21H18ClN7O.C21H21N7O.C20H17ClN6O2/c1-5-32(6-2)12-17-7-8-20(25)18(9-17)23-19(24-27-14-28-30-24)13-33(31-23)21-10-22(29-16(4)34)26-11-15(21)3;1-12-9-23-18(26-21(30)13-6-7-13)8-17(12)29-10-15(20-24-11-25-27-20)19(28-29)14-4-2-3-5-16(14)22;1-4-15-7-5-6-8-16(15)20-17(21-23-12-24-26-21)11-28(27-20)18-9-19(25-14(3)29)22-10-13(18)2;1-12-8-22-18(25-20(28)29-2)7-17(12)27-9-14(13-5-3-4-6-16(13)21)15(10-27)19-23-11-24-26-19/h7-11,13-14H,5-6,12H2,1-4H3,(H,26,29,34)(H,27,28,30);2-5,8-11,13H,6-7H2,1H3,(H,23,26,30)(H,24,25,27);5-12H,4H2,1-3H3,(H,22,25,29)(H,23,24,26);3-11H,1-2H3,(H,22,25,28)(H,23,24,26).
What are the key properties of N-[4-[3-[2-chloro-5-(diethylaminomethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-(2-ethylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate?
N-[4-[3-[2-chloro-5-(diethylaminomethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-(2-ethylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate has a molecular weight of 1695.16 g/mol, XLogP of 16.52, 22 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[2-chloro-5-(diethylaminomethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-(2-ethylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate is sourced from PubChem (CID 158552432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).