N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline

C109H98F2N16O5S2 — CID 162079543

IUPACN-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline
SMILESCc1cc(-c2ncccc2-c2ccc3cnccc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncn(CCN4CCOCC4)c3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3cnccc3c2)c1.[H]/N=C/c1cc(-c2cc(NS(C)(=O)=O)cnc2-c2cccc(C)c2)ccc1N.[H]/N=C/c1cc(-c2cc(NS(C)(=O)=O)cnc2-c2cccc(C3CC3)c2)ccc1N
InChIInChI=1S/C25H25FN4O.C22H22N4O2S.C21H15FN2.C21H16N2.C20H20N4O2S/c1-18-15-20(4-6-22(18)26)25-21(3-2-8-27-25)19-5-7-23-24(16-19)30(17-28-23)10-9-29-11-13-31-14-12-29;1-29(27,28)26-19-11-20(16-7-8-21(24)18(10-16)12-23)22(25-13-19)17-4-2-3-15(9-17)14-5-6-14;1-14-11-17(6-7-20(14)22)21-19(3-2-9-24-21)16-4-5-18-13-23-10-8-15(18)12-16;1-15-4-2-5-18(12-15)21-20(6-3-10-23-21)17-7-8-19-14-22-11-9-16(19)13-17;1-13-4-3-5-15(8-13)20-18(10-17(12-23-20)24-27(2,25)26)14-6-7-19(22)16(9-14)11-21/h2-8,15-17H,9-14H2,1H3;2-4,7-14,23,26H,5-6,24H2,1H3;2-13H,1H3;2-14H,1H3;3-12,21,24H,22H2,1-2H3/b;23-12+;;;21-11+
InChIKeyZCDQGLPWYGNERH-JWEGHJARSA-N
MW1814.22 g/mol
LogP23.15
Rot. Bonds20

About N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline

N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline (PubChem CID 162079543) has the molecular formula C109H98F2N16O5S2 and a molecular weight of 1814.22 g/mol. Its IUPAC name is N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline.

Molecular Properties

Compound NameN-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline
PubChem CID162079543
Molecular FormulaC109H98F2N16O5S2
Molecular Weight1814.22 g/mol
Exact Mass1812.73
IUPAC NameN-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline
SMILESCc1cc(-c2ncccc2-c2ccc3cnccc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncn(CCN4CCOCC4)c3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3cnccc3c2)c1.[H]/N=C/c1cc(-c2cc(NS(C)(=O)=O)cnc2-c2cccc(C)c2)ccc1N.[H]/N=C/c1cc(-c2cc(NS(C)(=O)=O)cnc2-c2cccc(C3CC3)c2)ccc1N
InChIInChI=1S/C25H25FN4O.C22H22N4O2S.C21H15FN2.C21H16N2.C20H20N4O2S/c1-18-15-20(4-6-22(18)26)25-21(3-2-8-27-25)19-5-7-23-24(16-19)30(17-28-23)10-9-29-11-13-31-14-12-29;1-29(27,28)26-19-11-20(16-7-8-21(24)18(10-16)12-23)22(25-13-19)17-4-2-3-15(9-17)14-5-6-14;1-14-11-17(6-7-20(14)22)21-19(3-2-9-24-21)16-4-5-18-13-23-10-8-15(18)12-16;1-15-4-2-5-18(12-15)21-20(6-3-10-23-21)17-7-8-19-14-22-11-9-16(19)13-17;1-13-4-3-5-15(8-13)20-18(10-17(12-23-20)24-27(2,25)26)14-6-7-19(22)16(9-14)11-21/h2-8,15-17H,9-14H2,1H3;2-4,7-14,23,26H,5-6,24H2,1H3;2-13H,1H3;2-14H,1H3;3-12,21,24H,22H2,1-2H3/b;23-12+;;;21-11+
InChIKeyZCDQGLPWYGNERH-JWEGHJARSA-N
XLogP23.15
TPSA312.60 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001814.22
LogP ≤ 523.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline with MolForge

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Related Compounds

4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;3-(3-fluoro-4-nitrophenyl)-2-(3-methylphenyl)pyridine
CID 175031448
N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide
CID 123773144
4-[[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol;4-[[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 159948651
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole
CID 90095898
5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine
CID 123477606
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one
CID 159491230
N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one
CID 159968992
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine;N,N-dimethyl-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N,N-dimethyl-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine;4-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinolin-4-yl]morpholine
CID 159313267
7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;[5-[6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-2-methylphenyl]methanimine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine
CID 158595779
3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoyl-N-methylaniline;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]indazole;3-[3-(1H-pyrazolo[4,5-b]pyridin-6-yl)-2-pyridinyl]phenol
CID 159901268
2-amino-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)-3-methanimidoylbenzamide
CID 167217299
4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine
CID 90095353

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline?
The IUPAC name of N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline (CID 162079543) is N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline.
What is the SMILES notation for N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline?
The canonical SMILES for N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline is Cc1cc(-c2ncccc2-c2ccc3cnccc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncn(CCN4CCOCC4)c3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3cnccc3c2)c1.[H]/N=C/c1cc(-c2cc(NS(C)(=O)=O)cnc2-c2cccc(C)c2)ccc1N.[H]/N=C/c1cc(-c2cc(NS(C)(=O)=O)cnc2-c2cccc(C3CC3)c2)ccc1N.
What is the InChIKey of N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline?
The InChIKey is ZCDQGLPWYGNERH-JWEGHJARSA-N. The full InChI is InChI=1S/C25H25FN4O.C22H22N4O2S.C21H15FN2.C21H16N2.C20H20N4O2S/c1-18-15-20(4-6-22(18)26)25-21(3-2-8-27-25)19-5-7-23-24(16-19)30(17-28-23)10-9-29-11-13-31-14-12-29;1-29(27,28)26-19-11-20(16-7-8-21(24)18(10-16)12-23)22(25-13-19)17-4-2-3-15(9-17)14-5-6-14;1-14-11-17(6-7-20(14)22)21-19(3-2-9-24-21)16-4-5-18-13-23-10-8-15(18)12-16;1-15-4-2-5-18(12-15)21-20(6-3-10-23-21)17-7-8-19-14-22-11-9-16(19)13-17;1-13-4-3-5-15(8-13)20-18(10-17(12-23-20)24-27(2,25)26)14-6-7-19(22)16(9-14)11-21/h2-8,15-17H,9-14H2,1H3;2-4,7-14,23,26H,5-6,24H2,1H3;2-13H,1H3;2-14H,1H3;3-12,21,24H,22H2,1-2H3/b;23-12+;;;21-11+.
What are the key properties of N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline?
N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline has a molecular weight of 1814.22 g/mol, XLogP of 23.15, 20 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline is sourced from PubChem (CID 162079543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).