3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine

C125H100F5N29O2 — CID 159344309

IUPAC3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine
SMILESCc1cc(-c2ncccc2-c2cnc3cn[nH]c3c2)ccc1F.[H]/N=C/c1ncc(-c2cccnc2-c2cc(C)ccc2F)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2ccc(F)c(F)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2ccc(F)c(OC)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2cccc(C#N)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2cccc(C)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2cccc(OC)c2)cc1N
InChIInChI=1S/C18H15FN4O.C18H13FN4.C18H15FN4.C18H13N5.C18H16N4O.C18H16N4.C17H12F2N4/c1-24-17-8-11(4-5-14(17)19)18-13(3-2-6-22-18)12-7-15(21)16(9-20)23-10-12;1-11-7-12(4-5-15(11)19)18-14(3-2-6-20-18)13-8-16-17(21-9-13)10-22-23-16;1-11-4-5-15(19)14(7-11)18-13(3-2-6-22-18)12-8-16(21)17(9-20)23-10-12;19-9-12-3-1-4-13(7-12)18-15(5-2-6-22-18)14-8-16(21)17(10-20)23-11-14;1-23-14-5-2-4-12(8-14)18-15(6-3-7-21-18)13-9-16(20)17(10-19)22-11-13;1-12-4-2-5-13(8-12)18-15(6-3-7-21-18)14-9-16(20)17(10-19)22-11-14;18-13-4-3-10(6-14(13)19)17-12(2-1-5-22-17)11-7-15(21)16(8-20)23-9-11/h2-10,20H,21H2,1H3;2-10H,1H3,(H,22,23);2-10,20H,21H2,1H3;1-8,10-11,20H,21H2;2-11,19H,20H2,1H3;2-11,19H,20H2,1H3;1-9,20H,21H2/b20-9+;;20-9+;20-10+;2*19-10+;20-8+
InChIKeyLGNHVMALJCJUBH-SCXWMUIGSA-N
MW2135.37 g/mol
LogP25.54
Rot. Bonds22

About 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine

3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine (PubChem CID 159344309) has the molecular formula C125H100F5N29O2 and a molecular weight of 2135.37 g/mol. Its IUPAC name is 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine.

Molecular Properties

Compound Name3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine
PubChem CID159344309
Molecular FormulaC125H100F5N29O2
Molecular Weight2135.37 g/mol
Exact Mass2133.85
IUPAC Name3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine
SMILESCc1cc(-c2ncccc2-c2cnc3cn[nH]c3c2)ccc1F.[H]/N=C/c1ncc(-c2cccnc2-c2cc(C)ccc2F)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2ccc(F)c(F)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2ccc(F)c(OC)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2cccc(C#N)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2cccc(C)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2cccc(OC)c2)cc1N
InChIInChI=1S/C18H15FN4O.C18H13FN4.C18H15FN4.C18H13N5.C18H16N4O.C18H16N4.C17H12F2N4/c1-24-17-8-11(4-5-14(17)19)18-13(3-2-6-22-18)12-7-15(21)16(9-20)23-10-12;1-11-7-12(4-5-15(11)19)18-14(3-2-6-20-18)13-8-16-17(21-9-13)10-22-23-16;1-11-4-5-15(19)14(7-11)18-13(3-2-6-22-18)12-8-16(21)17(9-20)23-10-12;19-9-12-3-1-4-13(7-12)18-15(5-2-6-22-18)14-8-16(21)17(10-20)23-11-14;1-23-14-5-2-4-12(8-14)18-15(6-3-7-21-18)13-9-16(20)17(10-19)22-11-13;1-12-4-2-5-13(8-12)18-15(6-3-7-21-18)14-9-16(20)17(10-19)22-11-14;18-13-4-3-10(6-14(13)19)17-12(2-1-5-22-17)11-7-15(21)16(8-20)23-9-11/h2-10,20H,21H2,1H3;2-10H,1H3,(H,22,23);2-10,20H,21H2,1H3;1-8,10-11,20H,21H2;2-11,19H,20H2,1H3;2-11,19H,20H2,1H3;1-9,20H,21H2/b20-9+;;20-9+;20-10+;2*19-10+;20-8+
InChIKeyLGNHVMALJCJUBH-SCXWMUIGSA-N
XLogP25.54
TPSA550.61 Ų
H-Bond Donors13
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002135.37
LogP ≤ 525.54
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

US10435405, Example 115
CID 134327709
US11530210, Example 226
CID 155388752
US11530210, Example 29
CID 155388898
US11530210, Example 31
CID 155389294
N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 67469584
6-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine
CID 90095742
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-5-(3-methoxyphenyl)-1,4-dihydro-1,6-naphthyridine
CID 126566085
3-[4-[(1Z)-1-(3-fluoro-5-methoxyphenyl)buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine
CID 137033010
5-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-methylphenyl]-3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137033285
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(3-methoxy-5-methylphenyl)-1H-pyrazolo[3,4-c]pyridine
CID 137033286
N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137033287
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137033399

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine?
The IUPAC name of 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine (CID 159344309) is 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine.
What is the SMILES notation for 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine?
The canonical SMILES for 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine is Cc1cc(-c2ncccc2-c2cnc3cn[nH]c3c2)ccc1F.[H]/N=C/c1ncc(-c2cccnc2-c2cc(C)ccc2F)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2ccc(F)c(F)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2ccc(F)c(OC)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2cccc(C#N)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2cccc(C)c2)cc1N.[H]/N=C/c1ncc(-c2cccnc2-c2cccc(OC)c2)cc1N.
What is the InChIKey of 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine?
The InChIKey is LGNHVMALJCJUBH-SCXWMUIGSA-N. The full InChI is InChI=1S/C18H15FN4O.C18H13FN4.C18H15FN4.C18H13N5.C18H16N4O.C18H16N4.C17H12F2N4/c1-24-17-8-11(4-5-14(17)19)18-13(3-2-6-22-18)12-7-15(21)16(9-20)23-10-12;1-11-7-12(4-5-15(11)19)18-14(3-2-6-20-18)13-8-16-17(21-9-13)10-22-23-16;1-11-4-5-15(19)14(7-11)18-13(3-2-6-22-18)12-8-16(21)17(9-20)23-10-12;19-9-12-3-1-4-13(7-12)18-15(5-2-6-22-18)14-8-16(21)17(10-20)23-11-14;1-23-14-5-2-4-12(8-14)18-15(6-3-7-21-18)13-9-16(20)17(10-19)22-11-13;1-12-4-2-5-13(8-12)18-15(6-3-7-21-18)14-9-16(20)17(10-19)22-11-14;18-13-4-3-10(6-14(13)19)17-12(2-1-5-22-17)11-7-15(21)16(8-20)23-9-11/h2-10,20H,21H2,1H3;2-10H,1H3,(H,22,23);2-10,20H,21H2,1H3;1-8,10-11,20H,21H2;2-11,19H,20H2,1H3;2-11,19H,20H2,1H3;1-9,20H,21H2/b20-9+;;20-9+;20-10+;2*19-10+;20-8+.
What are the key properties of 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine?
3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine has a molecular weight of 2135.37 g/mol, XLogP of 25.54, 22 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-amino-6-methanimidoyl-3-pyridinyl)-2-pyridinyl]benzonitrile;5-[2-(3,4-difluorophenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;5-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-2-methanimidoylpyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;2-methanimidoyl-5-[2-(3-methoxyphenyl)-3-pyridinyl]pyridin-3-amine;2-methanimidoyl-5-[2-(3-methylphenyl)-3-pyridinyl]pyridin-3-amine is sourced from PubChem (CID 159344309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).