5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;5-(1H-indazol-5-yl)-6-(3-propan-2-ylphenyl)pyridin-3-amine

C139H120F3N25S3 — CID 158239798

IUPAC5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;5-(1H-indazol-5-yl)-6-(3-propan-2-ylphenyl)pyridin-3-amine
SMILESCC(C)c1cccc(-c2ncc(N)cc2-c2ccc3[nH]ncc3c2)c1.Cc1cc(-c2ncc(N)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cccc(-c2ncc(N)cc2-c2ccc3ncsc3c2)c1.Nc1cnc(-c2cccc(C3CC3)c2)c(-c2ccc3ncsc3c2)c1.[H]/N=C/c1cc(-c2cc(N)cnc2-c2ccc(F)c(C)c2)ccc1N.[H]/N=C/c1cc(-c2cc(N)cnc2-c2cccc(C3CC3)c2)ccc1N.[H]/N=C/c1cc(-c2ccc(N)nc2-c2ccc(F)c(C)c2)ccc1N
InChIInChI=1S/2C21H20N4.C21H17N3S.2C19H17FN4.C19H14FN3S.C19H15N3S/c1-13(2)14-4-3-5-16(8-14)21-19(10-18(22)12-23-21)15-6-7-20-17(9-15)11-24-25-20;22-11-17-9-15(6-7-20(17)24)19-10-18(23)12-25-21(19)16-3-1-2-14(8-16)13-4-5-13;22-17-10-18(15-6-7-19-20(9-15)25-12-24-19)21(23-11-17)16-3-1-2-14(8-16)13-4-5-13;1-11-8-13(2-5-16(11)20)19-15(4-7-18(23)24-19)12-3-6-17(22)14(9-12)10-21;1-11-6-13(2-4-17(11)20)19-16(8-15(22)10-24-19)12-3-5-18(23)14(7-12)9-21;1-11-6-13(2-4-16(11)20)19-15(8-14(21)9-22-19)12-3-5-17-18(7-12)24-10-23-17;1-12-3-2-4-14(7-12)19-16(9-15(20)10-21-19)13-5-6-17-18(8-13)23-11-22-17/h3-13H,22H2,1-2H3,(H,24,25);1-3,6-13,22H,4-5,23-24H2;1-3,6-13H,4-5,22H2;2-10,21H,22H2,1H3,(H2,23,24);2-10,21H,22-23H2,1H3;2-10H,21H2,1H3;2-11H,20H2,1H3/b;22-11+;;21-10+;21-9+;;
InChIKeyGFKDDPLENHQPJZ-JIIMQMFQSA-N
MW2293.86 g/mol
LogP32.96
Rot. Bonds20

About 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;5-(1H-indazol-5-yl)-6-(3-propan-2-ylphenyl)pyridin-3-amine

5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;5-(1H-indazol-5-yl)-6-(3-propan-2-ylphenyl)pyridin-3-amine (PubChem CID 158239798) has the molecular formula C139H120F3N25S3 and a molecular weight of 2293.86 g/mol. Its IUPAC name is 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;5-(1H-indazol-5-yl)-6-(3-propan-2-ylphenyl)pyridin-3-amine.

Molecular Properties

Compound Name5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;5-(1H-indazol-5-yl)-6-(3-propan-2-ylphenyl)pyridin-3-amine
PubChem CID158239798
Molecular FormulaC139H120F3N25S3
Molecular Weight2293.86 g/mol
Exact Mass2291.93
IUPAC Name5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;5-(1H-indazol-5-yl)-6-(3-propan-2-ylphenyl)pyridin-3-amine
SMILESCC(C)c1cccc(-c2ncc(N)cc2-c2ccc3[nH]ncc3c2)c1.Cc1cc(-c2ncc(N)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cccc(-c2ncc(N)cc2-c2ccc3ncsc3c2)c1.Nc1cnc(-c2cccc(C3CC3)c2)c(-c2ccc3ncsc3c2)c1.[H]/N=C/c1cc(-c2cc(N)cnc2-c2ccc(F)c(C)c2)ccc1N.[H]/N=C/c1cc(-c2cc(N)cnc2-c2cccc(C3CC3)c2)ccc1N.[H]/N=C/c1cc(-c2ccc(N)nc2-c2ccc(F)c(C)c2)ccc1N
InChIInChI=1S/2C21H20N4.C21H17N3S.2C19H17FN4.C19H14FN3S.C19H15N3S/c1-13(2)14-4-3-5-16(8-14)21-19(10-18(22)12-23-21)15-6-7-20-17(9-15)11-24-25-20;22-11-17-9-15(6-7-20(17)24)19-10-18(23)12-25-21(19)16-3-1-2-14(8-16)13-4-5-13;22-17-10-18(15-6-7-19-20(9-15)25-12-24-19)21(23-11-17)16-3-1-2-14(8-16)13-4-5-13;1-11-8-13(2-5-16(11)20)19-15(4-7-18(23)24-19)12-3-6-17(22)14(9-12)10-21;1-11-6-13(2-4-17(11)20)19-16(8-15(22)10-24-19)12-3-5-18(23)14(7-12)9-21;1-11-6-13(2-4-16(11)20)19-15(8-14(21)9-22-19)12-3-5-17-18(7-12)24-10-23-17;1-12-3-2-4-14(7-12)19-16(9-15(20)10-21-19)13-5-6-17-18(8-13)23-11-22-17/h3-13H,22H2,1-2H3,(H,24,25);1-3,6-13,22H,4-5,23-24H2;1-3,6-13H,4-5,22H2;2-10,21H,22H2,1H3,(H2,23,24);2-10,21H,22-23H2,1H3;2-10H,21H2,1H3;2-11H,20H2,1H3/b;22-11+;;21-10+;21-9+;;
InChIKeyGFKDDPLENHQPJZ-JIIMQMFQSA-N
XLogP32.96
TPSA489.33 Ų
H-Bond Donors14
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms170
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002293.86
LogP ≤ 532.96
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;5-(1H-indazol-5-yl)-6-(3-propan-2-ylphenyl)pyridin-3-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;5-(1H-indazol-5-yl)-6-(3-propan-2-ylphenyl)pyridin-3-amine?
The IUPAC name of 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;5-(1H-indazol-5-yl)-6-(3-propan-2-ylphenyl)pyridin-3-amine (CID 158239798) is 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;5-(1H-indazol-5-yl)-6-(3-propan-2-ylphenyl)pyridin-3-amine.
What is the SMILES notation for 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;5-(1H-indazol-5-yl)-6-(3-propan-2-ylphenyl)pyridin-3-amine?
The canonical SMILES for 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;5-(1H-indazol-5-yl)-6-(3-propan-2-ylphenyl)pyridin-3-amine is CC(C)c1cccc(-c2ncc(N)cc2-c2ccc3[nH]ncc3c2)c1.Cc1cc(-c2ncc(N)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cccc(-c2ncc(N)cc2-c2ccc3ncsc3c2)c1.Nc1cnc(-c2cccc(C3CC3)c2)c(-c2ccc3ncsc3c2)c1.[H]/N=C/c1cc(-c2cc(N)cnc2-c2ccc(F)c(C)c2)ccc1N.[H]/N=C/c1cc(-c2cc(N)cnc2-c2cccc(C3CC3)c2)ccc1N.[H]/N=C/c1cc(-c2ccc(N)nc2-c2ccc(F)c(C)c2)ccc1N.
What is the InChIKey of 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;5-(1H-indazol-5-yl)-6-(3-propan-2-ylphenyl)pyridin-3-amine?
The InChIKey is GFKDDPLENHQPJZ-JIIMQMFQSA-N. The full InChI is InChI=1S/2C21H20N4.C21H17N3S.2C19H17FN4.C19H14FN3S.C19H15N3S/c1-13(2)14-4-3-5-16(8-14)21-19(10-18(22)12-23-21)15-6-7-20-17(9-15)11-24-25-20;22-11-17-9-15(6-7-20(17)24)19-10-18(23)12-25-21(19)16-3-1-2-14(8-16)13-4-5-13;22-17-10-18(15-6-7-19-20(9-15)25-12-24-19)21(23-11-17)16-3-1-2-14(8-16)13-4-5-13;1-11-8-13(2-5-16(11)20)19-15(4-7-18(23)24-19)12-3-6-17(22)14(9-12)10-21;1-11-6-13(2-4-17(11)20)19-16(8-15(22)10-24-19)12-3-5-18(23)14(7-12)9-21;1-11-6-13(2-4-16(11)20)19-15(8-14(21)9-22-19)12-3-5-17-18(7-12)24-10-23-17;1-12-3-2-4-14(7-12)19-16(9-15(20)10-21-19)13-5-6-17-18(8-13)23-11-22-17/h3-13H,22H2,1-2H3,(H,24,25);1-3,6-13,22H,4-5,23-24H2;1-3,6-13H,4-5,22H2;2-10,21H,22H2,1H3,(H2,23,24);2-10,21H,22-23H2,1H3;2-10H,21H2,1H3;2-11H,20H2,1H3/b;22-11+;;21-10+;21-9+;;.
What are the key properties of 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;5-(1H-indazol-5-yl)-6-(3-propan-2-ylphenyl)pyridin-3-amine?
5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;5-(1H-indazol-5-yl)-6-(3-propan-2-ylphenyl)pyridin-3-amine has a molecular weight of 2293.86 g/mol, XLogP of 32.96, 20 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;5-(1H-indazol-5-yl)-6-(3-propan-2-ylphenyl)pyridin-3-amine is sourced from PubChem (CID 158239798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).