N-cyclohexyl-N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-cyclopentyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;(4,4-difluoropiperidin-1-yl)-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-methoxyphenyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]-N-phenylbenzamide

C118H122F2N30O8 — CID 158017550

IUPACN-cyclohexyl-N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-cyclopentyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;(4,4-difluoropiperidin-1-yl)-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-methoxyphenyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]-N-phenylbenzamide
SMILESCOCCNC(=O)c1ccc(Nc2nccc3n[nH]c(C)c23)cc1.COc1ccccc1NC(=O)c1ccc(Nc2nccc3n[nH]c(C)c23)cc1.Cc1[nH]nc2ccnc(Nc3ccc(C(=O)N(C)C4CCCCC4)cc3)c12.Cc1[nH]nc2ccnc(Nc3ccc(C(=O)N(C)c4ccccc4)cc3)c12.Cc1[nH]nc2ccnc(Nc3ccc(C(=O)N4CCC(F)(F)CC4)cc3)c12.Cc1[nH]nc2ccnc(Nc3ccc(C(=O)NC4CCCC4)cc3)c12
InChIInChI=1S/C21H19N5O2.C21H25N5O.C21H19N5O.C19H19F2N5O.C19H21N5O.C17H19N5O2/c1-13-19-17(26-25-13)11-12-22-20(19)23-15-9-7-14(8-10-15)21(27)24-16-5-3-4-6-18(16)28-2;2*1-14-19-18(25-24-14)12-13-22-20(19)23-16-10-8-15(9-11-16)21(27)26(2)17-6-4-3-5-7-17;1-12-16-15(25-24-12)6-9-22-17(16)23-14-4-2-13(3-5-14)18(27)26-10-7-19(20,21)8-11-26;1-12-17-16(24-23-12)10-11-20-18(17)21-15-8-6-13(7-9-15)19(25)22-14-4-2-3-5-14;1-11-15-14(22-21-11)7-8-18-16(15)20-13-5-3-12(4-6-13)17(23)19-9-10-24-2/h3-12H,1-2H3,(H,22,23)(H,24,27)(H,25,26);8-13,17H,3-7H2,1-2H3,(H,22,23)(H,24,25);3-13H,1-2H3,(H,22,23)(H,24,25);2-6,9H,7-8,10-11H2,1H3,(H,22,23)(H,24,25);6-11,14H,2-5H2,1H3,(H,20,21)(H,22,25)(H,23,24);3-8H,9-10H2,1-2H3,(H,18,20)(H,19,23)(H,21,22)
InChIKeyFFQSICKDKRCFND-UHFFFAOYSA-N
MW2126.47 g/mol
LogP22.92
Rot. Bonds26

About N-cyclohexyl-N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-cyclopentyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;(4,4-difluoropiperidin-1-yl)-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-methoxyphenyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]-N-phenylbenzamide

N-cyclohexyl-N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-cyclopentyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;(4,4-difluoropiperidin-1-yl)-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-methoxyphenyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]-N-phenylbenzamide (PubChem CID 158017550) has the molecular formula C118H122F2N30O8 and a molecular weight of 2126.47 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-cyclopentyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;(4,4-difluoropiperidin-1-yl)-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-methoxyphenyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-cyclopentyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;(4,4-difluoropiperidin-1-yl)-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-methoxyphenyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]-N-phenylbenzamide
PubChem CID158017550
Molecular FormulaC118H122F2N30O8
Molecular Weight2126.47 g/mol
Exact Mass2125.00
IUPAC NameN-cyclohexyl-N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-cyclopentyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;(4,4-difluoropiperidin-1-yl)-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-methoxyphenyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]-N-phenylbenzamide
SMILESCOCCNC(=O)c1ccc(Nc2nccc3n[nH]c(C)c23)cc1.COc1ccccc1NC(=O)c1ccc(Nc2nccc3n[nH]c(C)c23)cc1.Cc1[nH]nc2ccnc(Nc3ccc(C(=O)N(C)C4CCCCC4)cc3)c12.Cc1[nH]nc2ccnc(Nc3ccc(C(=O)N(C)c4ccccc4)cc3)c12.Cc1[nH]nc2ccnc(Nc3ccc(C(=O)N4CCC(F)(F)CC4)cc3)c12.Cc1[nH]nc2ccnc(Nc3ccc(C(=O)NC4CCCC4)cc3)c12
InChIInChI=1S/C21H19N5O2.C21H25N5O.C21H19N5O.C19H19F2N5O.C19H21N5O.C17H19N5O2/c1-13-19-17(26-25-13)11-12-22-20(19)23-15-9-7-14(8-10-15)21(27)24-16-5-3-4-6-18(16)28-2;2*1-14-19-18(25-24-14)12-13-22-20(19)23-16-10-8-15(9-11-16)21(27)26(2)17-6-4-3-5-7-17;1-12-16-15(25-24-12)6-9-22-17(16)23-14-4-2-13(3-5-14)18(27)26-10-7-19(20,21)8-11-26;1-12-17-16(24-23-12)10-11-20-18(17)21-15-8-6-13(7-9-15)19(25)22-14-4-2-3-5-14;1-11-15-14(22-21-11)7-8-18-16(15)20-13-5-3-12(4-6-13)17(23)19-9-10-24-2/h3-12H,1-2H3,(H,22,23)(H,24,27)(H,25,26);8-13,17H,3-7H2,1-2H3,(H,22,23)(H,24,25);3-13H,1-2H3,(H,22,23)(H,24,25);2-6,9H,7-8,10-11H2,1H3,(H,22,23)(H,24,25);6-11,14H,2-5H2,1H3,(H,20,21)(H,22,25)(H,23,24);3-8H,9-10H2,1-2H3,(H,18,20)(H,19,23)(H,21,22)
InChIKeyFFQSICKDKRCFND-UHFFFAOYSA-N
XLogP22.92
TPSA488.29 Ų
H-Bond Donors15
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms158
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002126.47
LogP ≤ 522.92
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclohexyl-N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-cyclopentyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;(4,4-difluoropiperidin-1-yl)-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-methoxyphenyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]-N-phenylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-cyclopentyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;(4,4-difluoropiperidin-1-yl)-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-methoxyphenyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]-N-phenylbenzamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-cyclopentyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;(4,4-difluoropiperidin-1-yl)-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-methoxyphenyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]-N-phenylbenzamide (CID 158017550) is N-cyclohexyl-N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-cyclopentyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;(4,4-difluoropiperidin-1-yl)-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-methoxyphenyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]-N-phenylbenzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-cyclopentyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;(4,4-difluoropiperidin-1-yl)-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-methoxyphenyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]-N-phenylbenzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-cyclopentyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;(4,4-difluoropiperidin-1-yl)-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-methoxyphenyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]-N-phenylbenzamide is COCCNC(=O)c1ccc(Nc2nccc3n[nH]c(C)c23)cc1.COc1ccccc1NC(=O)c1ccc(Nc2nccc3n[nH]c(C)c23)cc1.Cc1[nH]nc2ccnc(Nc3ccc(C(=O)N(C)C4CCCCC4)cc3)c12.Cc1[nH]nc2ccnc(Nc3ccc(C(=O)N(C)c4ccccc4)cc3)c12.Cc1[nH]nc2ccnc(Nc3ccc(C(=O)N4CCC(F)(F)CC4)cc3)c12.Cc1[nH]nc2ccnc(Nc3ccc(C(=O)NC4CCCC4)cc3)c12.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-cyclopentyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;(4,4-difluoropiperidin-1-yl)-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-methoxyphenyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]-N-phenylbenzamide?
The InChIKey is FFQSICKDKRCFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2.C21H25N5O.C21H19N5O.C19H19F2N5O.C19H21N5O.C17H19N5O2/c1-13-19-17(26-25-13)11-12-22-20(19)23-15-9-7-14(8-10-15)21(27)24-16-5-3-4-6-18(16)28-2;2*1-14-19-18(25-24-14)12-13-22-20(19)23-16-10-8-15(9-11-16)21(27)26(2)17-6-4-3-5-7-17;1-12-16-15(25-24-12)6-9-22-17(16)23-14-4-2-13(3-5-14)18(27)26-10-7-19(20,21)8-11-26;1-12-17-16(24-23-12)10-11-20-18(17)21-15-8-6-13(7-9-15)19(25)22-14-4-2-3-5-14;1-11-15-14(22-21-11)7-8-18-16(15)20-13-5-3-12(4-6-13)17(23)19-9-10-24-2/h3-12H,1-2H3,(H,22,23)(H,24,27)(H,25,26);8-13,17H,3-7H2,1-2H3,(H,22,23)(H,24,25);3-13H,1-2H3,(H,22,23)(H,24,25);2-6,9H,7-8,10-11H2,1H3,(H,22,23)(H,24,25);6-11,14H,2-5H2,1H3,(H,20,21)(H,22,25)(H,23,24);3-8H,9-10H2,1-2H3,(H,18,20)(H,19,23)(H,21,22).
What are the key properties of N-cyclohexyl-N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-cyclopentyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;(4,4-difluoropiperidin-1-yl)-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-methoxyphenyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]-N-phenylbenzamide?
N-cyclohexyl-N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-cyclopentyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;(4,4-difluoropiperidin-1-yl)-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-methoxyphenyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]-N-phenylbenzamide has a molecular weight of 2126.47 g/mol, XLogP of 22.92, 26 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-cyclopentyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;(4,4-difluoropiperidin-1-yl)-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]methanone;N-(2-methoxyethyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-(2-methoxyphenyl)-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzamide;N-methyl-4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]-N-phenylbenzamide is sourced from PubChem (CID 158017550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).