N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide

C102H91FN18O6S5 — CID 159265951

IUPACN-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide
SMILESCc1cc(-c2ncc(NS(C)(=O)=O)cc2-c2ccc3[nH]ncc3c2)ccc1F.Cc1cccc(-c2nc(N)ccc2-c2ccc3ncsc3c2)c1.Nc1ccc(-c2ccc3ncsc3c2)c(-c2cccc(C3CC3)c2)n1.[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/C22H22N4O2S.C21H17N3S.C20H17FN4O2S.C20H20N4O2S.C19H15N3S/c1-29(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;22-20-9-7-17(15-6-8-18-19(11-15)25-12-23-18)21(24-20)16-3-1-2-14(10-16)13-4-5-13;1-12-7-14(3-5-18(12)21)20-17(9-16(11-22-20)25-28(2,26)27)13-4-6-19-15(8-13)10-23-24-19;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;1-12-3-2-4-14(9-12)19-15(6-8-18(20)22-19)13-5-7-16-17(10-13)23-11-21-16/h2-4,7-14,23,26H,5-6,24H2,1H3;1-3,6-13H,4-5H2,(H2,22,24);3-11,25H,1-2H3,(H,23,24);3-12,21,24H,22H2,1-2H3;2-11H,1H3,(H2,20,22)/b23-12+;;;21-11+;
InChIKeyKXCGUUZDHAKOOA-LUOUDTFCSA-N
MW1844.30 g/mol
LogP22.43
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;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide

N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide (PubChem CID 159265951) has the molecular formula C102H91FN18O6S5 and a molecular weight of 1844.30 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;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide.

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;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide
PubChem CID159265951
Molecular FormulaC102H91FN18O6S5
Molecular Weight1844.30 g/mol
Exact Mass1842.60
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;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide
SMILESCc1cc(-c2ncc(NS(C)(=O)=O)cc2-c2ccc3[nH]ncc3c2)ccc1F.Cc1cccc(-c2nc(N)ccc2-c2ccc3ncsc3c2)c1.Nc1ccc(-c2ccc3ncsc3c2)c(-c2cccc(C3CC3)c2)n1.[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/C22H22N4O2S.C21H17N3S.C20H17FN4O2S.C20H20N4O2S.C19H15N3S/c1-29(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;22-20-9-7-17(15-6-8-18-19(11-15)25-12-23-18)21(24-20)16-3-1-2-14(10-16)13-4-5-13;1-12-7-14(3-5-18(12)21)20-17(9-16(11-22-20)25-28(2,26)27)13-4-6-19-15(8-13)10-23-24-19;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;1-12-3-2-4-14(9-12)19-15(6-8-18(20)22-19)13-5-7-16-17(10-13)23-11-21-16/h2-4,7-14,23,26H,5-6,24H2,1H3;1-3,6-13H,4-5H2,(H2,22,24);3-11,25H,1-2H3,(H,23,24);3-12,21,24H,22H2,1-2H3;2-11H,1H3,(H2,20,22)/b23-12+;;;21-11+;
InChIKeyKXCGUUZDHAKOOA-LUOUDTFCSA-N
XLogP22.43
TPSA409.20 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms132
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001844.30
LogP ≤ 522.43
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

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;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide with MolForge

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Related Compounds

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;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide?
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;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide (CID 159265951) 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;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide.
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;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide?
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;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide is Cc1cc(-c2ncc(NS(C)(=O)=O)cc2-c2ccc3[nH]ncc3c2)ccc1F.Cc1cccc(-c2nc(N)ccc2-c2ccc3ncsc3c2)c1.Nc1ccc(-c2ccc3ncsc3c2)c(-c2cccc(C3CC3)c2)n1.[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;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide?
The InChIKey is KXCGUUZDHAKOOA-LUOUDTFCSA-N. The full InChI is InChI=1S/C22H22N4O2S.C21H17N3S.C20H17FN4O2S.C20H20N4O2S.C19H15N3S/c1-29(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;22-20-9-7-17(15-6-8-18-19(11-15)25-12-23-18)21(24-20)16-3-1-2-14(10-16)13-4-5-13;1-12-7-14(3-5-18(12)21)20-17(9-16(11-22-20)25-28(2,26)27)13-4-6-19-15(8-13)10-23-24-19;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;1-12-3-2-4-14(9-12)19-15(6-8-18(20)22-19)13-5-7-16-17(10-13)23-11-21-16/h2-4,7-14,23,26H,5-6,24H2,1H3;1-3,6-13H,4-5H2,(H2,22,24);3-11,25H,1-2H3,(H,23,24);3-12,21,24H,22H2,1-2H3;2-11H,1H3,(H2,20,22)/b23-12+;;;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;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide?
N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide has a molecular weight of 1844.30 g/mol, XLogP of 22.43, 20 rotatable bonds, 10 hydrogen bond donors, and 22 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;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 159265951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).