2-[[4-[5-amino-6-(2,3-dihydroxypropylamino)pyrazin-2-yl]phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide

C112H102F5N23O8S — CID 161414718

About 2-[[4-[5-amino-6-(2,3-dihydroxypropylamino)pyrazin-2-yl]phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide

2-[[4-[5-amino-6-(2,3-dihydroxypropylamino)pyrazin-2-yl]phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 161414718) has the molecular formula C112H102F5N23O8S and a molecular weight of 2025.26 g/mol. Its IUPAC name is 2-[[4-[5-amino-6-(2,3-dihydroxypropylamino)pyrazin-2-yl]phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-[5-amino-6-(2,3-dihydroxypropylamino)pyrazin-2-yl]phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide
• PubChem CID: 161414718
• Molecular Formula: C112H102F5N23O8S
• Molecular Weight: 2025.26 g/mol
• Exact Mass: 2023.79
• IUPAC Name: 2-[[4-[5-amino-6-(2,3-dihydroxypropylamino)pyrazin-2-yl]phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide
• SMILES: Cc1ccc(CNC(=O)c2cccnc2NCc2ccc(-c3cnc4[nH]ncc4c3)cc2)cc1F.Cc1ccc(NC(=O)c2cc(C(F)(F)F)cnc2NCc2ccc(-c3cnc(N)c(NCC(O)CO)n3)cc2)cc1.Cc1ccc(NC(=O)c2cccnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCCOc2ccc3c(c2)CC(=O)/C3=C\C2=CN=CC2)cc1F
• InChI: InChI=1S/C31H29FN4O3.C28H28F3N7O3.C27H23FN6O.C26H22N6OS/c1-19-5-6-22(16-28(19)32)20(2)36-31(38)26-4-3-10-34-30(26)35-12-13-39-24-7-8-25-23(15-24)17-29(37)27(25)14-21-9-11-33-18-21;1-16-2-8-20(9-3-16)37-27(41)22-10-19(28(29,30)31)12-35-25(22)34-11-17-4-6-18(7-5-17)23-14-33-24(32)26(38-23)36-13-21(40)15-39;1-17-4-5-19(11-24(17)28)14-32-27(35)23-3-2-10-29-26(23)30-13-18-6-8-20(9-7-18)21-12-22-16-33-34-25(22)31-15-21;1-16-4-7-18(8-5-16)32-26(33)20-3-2-12-28-25(20)29-14-19-9-11-23(34-19)17-6-10-22-21(13-17)24(27)31-15-30-22/h3-8,10-11,14-16,18,20H,9,12-13,17H2,1-2H3,(H,34,35)(H,36,38);2-10,12,14,21,39-40H,11,13,15H2,1H3,(H2,32,33)(H,34,35)(H,36,38)(H,37,41);2-12,15-16H,13-14H2,1H3,(H,29,30)(H,32,35)(H,31,33,34);2-13,15H,14H2,1H3,(H,28,29)(H,32,33)(H2,27,30,31)/b27-14-;;;/t20-;;;/m0.../s1
• InChIKey: VVXTWGAQETWYMV-RIEBQFSISA-N
• XLogP: 19.97
• TPSA: 452.40 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 27
• Rotatable Bonds: 32
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2025.26
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-amino-6-(2,3-dihydroxypropylamino)pyrazin-2-yl]phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide?

The IUPAC name of 2-[[4-[5-amino-6-(2,3-dihydroxypropylamino)pyrazin-2-yl]phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide (CID 161414718) is 2-[[4-[5-amino-6-(2,3-dihydroxypropylamino)pyrazin-2-yl]phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide.

What is the SMILES notation for 2-[[4-[5-amino-6-(2,3-dihydroxypropylamino)pyrazin-2-yl]phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide?

The canonical SMILES for 2-[[4-[5-amino-6-(2,3-dihydroxypropylamino)pyrazin-2-yl]phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cccnc2NCc2ccc(-c3cnc4[nH]ncc4c3)cc2)cc1F.Cc1ccc(NC(=O)c2cc(C(F)(F)F)cnc2NCc2ccc(-c3cnc(N)c(NCC(O)CO)n3)cc2)cc1.Cc1ccc(NC(=O)c2cccnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCCOc2ccc3c(c2)CC(=O)/C3=C\C2=CN=CC2)cc1F.

What is the InChIKey of 2-[[4-[5-amino-6-(2,3-dihydroxypropylamino)pyrazin-2-yl]phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide?

The InChIKey is VVXTWGAQETWYMV-RIEBQFSISA-N. The full InChI is InChI=1S/C31H29FN4O3.C28H28F3N7O3.C27H23FN6O.C26H22N6OS/c1-19-5-6-22(16-28(19)32)20(2)36-31(38)26-4-3-10-34-30(26)35-12-13-39-24-7-8-25-23(15-24)17-29(37)27(25)14-21-9-11-33-18-21;1-16-2-8-20(9-3-16)37-27(41)22-10-19(28(29,30)31)12-35-25(22)34-11-17-4-6-18(7-5-17)23-14-33-24(32)26(38-23)36-13-21(40)15-39;1-17-4-5-19(11-24(17)28)14-32-27(35)23-3-2-10-29-26(23)30-13-18-6-8-20(9-7-18)21-12-22-16-33-34-25(22)31-15-21;1-16-4-7-18(8-5-16)32-26(33)20-3-2-12-28-25(20)29-14-19-9-11-23(34-19)17-6-10-22-21(13-17)24(27)31-15-30-22/h3-8,10-11,14-16,18,20H,9,12-13,17H2,1-2H3,(H,34,35)(H,36,38);2-10,12,14,21,39-40H,11,13,15H2,1H3,(H2,32,33)(H,34,35)(H,36,38)(H,37,41);2-12,15-16H,13-14H2,1H3,(H,29,30)(H,32,35)(H,31,33,34);2-13,15H,14H2,1H3,(H,28,29)(H,32,33)(H2,27,30,31)/b27-14-;;;/t20-;;;/m0.../s1.

What are the key properties of 2-[[4-[5-amino-6-(2,3-dihydroxypropylamino)pyrazin-2-yl]phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide?

2-[[4-[5-amino-6-(2,3-dihydroxypropylamino)pyrazin-2-yl]phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 2025.26 g/mol, XLogP of 19.97, 32 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[5-amino-6-(2,3-dihydroxypropylamino)pyrazin-2-yl]phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 161414718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).