5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;methane

C115H103F5N26O6S3 — CID 157233913

About 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;methane

5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;methane (PubChem CID 157233913) has the molecular formula C115H103F5N26O6S3 and a molecular weight of 2136.46 g/mol. Its IUPAC name is 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;methane.

Molecular Properties

• Compound Name: 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;methane
• PubChem CID: 157233913
• Molecular Formula: C115H103F5N26O6S3
• Molecular Weight: 2136.46 g/mol
• Exact Mass: 2134.76
• IUPAC Name: 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;methane
• SMILES: C.C.Cc1cc([C@H](C)n2cnc3ccnc(NCc4ccc(-c5cc6c(N)ncnc6cn5)s4)c3c2=O)ccc1F.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1F.Cc1ccc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1F.O=C1Cc2ccc(OC[C@H](Nc3ncccc3C(=O)NCc3ccc(F)c(F)c3)c3ccccc3)cc2N1
• InChI: InChI=1S/C29H24F2N4O3.2C28H23FN8OS.C28H25FN6OS.2CH4/c30-23-11-8-18(13-24(23)31)16-33-29(37)22-7-4-12-32-28(22)35-26(19-5-2-1-3-6-19)17-38-21-10-9-20-14-27(36)34-25(20)15-21;1-15-9-17(3-5-20(15)29)16(2)37-14-36-21-7-8-31-27(25(21)28(37)38)33-11-18-4-6-24(39-18)22-10-19-23(12-32-22)34-13-35-26(19)30;1-15-3-4-17(10-22(15)29)16(2)36-28(38)25-27(32-12-19(11-30)37-25)33-13-20-6-8-24(39-20)18-5-7-23-21(9-18)26(31)35-14-34-23;1-16-5-6-18(13-23(16)29)17(2)35-28(36)21-4-3-11-31-27(21)32-14-20-8-10-25(37-20)19-7-9-24-22(12-19)26(30)34-15-33-24;;/h1-13,15,26H,14,16-17H2,(H,32,35)(H,33,37)(H,34,36);3-10,12-14,16H,11H2,1-2H3,(H,31,33)(H2,30,34,35);3-10,12,14,16H,13H2,1-2H3,(H,32,33)(H,36,38)(H2,31,34,35);3-13,15,17H,14H2,1-2H3,(H,31,32)(H,35,36)(H2,30,33,34);2*1H4/t26-;2*16-;17-;;/m0000../s1
• InChIKey: AUKKRILCLHPFFQ-UJEKDVFXSA-N
• XLogP: 22.44
• TPSA: 465.17 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 29
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2136.46
LogP ≤ 5	22.44
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;methane?

The IUPAC name of 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;methane (CID 157233913) is 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;methane.

What is the SMILES notation for 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;methane?

The canonical SMILES for 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;methane is C.C.Cc1cc([C@H](C)n2cnc3ccnc(NCc4ccc(-c5cc6c(N)ncnc6cn5)s4)c3c2=O)ccc1F.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1F.Cc1ccc([C@H](C)NC(=O)c2nc(C#N)cnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1F.O=C1Cc2ccc(OC[C@H](Nc3ncccc3C(=O)NCc3ccc(F)c(F)c3)c3ccccc3)cc2N1.

What is the InChIKey of 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;methane?

The InChIKey is AUKKRILCLHPFFQ-UJEKDVFXSA-N. The full InChI is InChI=1S/C29H24F2N4O3.2C28H23FN8OS.C28H25FN6OS.2CH4/c30-23-11-8-18(13-24(23)31)16-33-29(37)22-7-4-12-32-28(22)35-26(19-5-2-1-3-6-19)17-38-21-10-9-20-14-27(36)34-25(20)15-21;1-15-9-17(3-5-20(15)29)16(2)37-14-36-21-7-8-31-27(25(21)28(37)38)33-11-18-4-6-24(39-18)22-10-19-23(12-32-22)34-13-35-26(19)30;1-15-3-4-17(10-22(15)29)16(2)36-28(38)25-27(32-12-19(11-30)37-25)33-13-20-6-8-24(39-20)18-5-7-23-21(9-18)26(31)35-14-34-23;1-16-5-6-18(13-23(16)29)17(2)35-28(36)21-4-3-11-31-27(21)32-14-20-8-10-25(37-20)19-7-9-24-22(12-19)26(30)34-15-33-24;;/h1-13,15,26H,14,16-17H2,(H,32,35)(H,33,37)(H,34,36);3-10,12-14,16H,11H2,1-2H3,(H,31,33)(H2,30,34,35);3-10,12,14,16H,13H2,1-2H3,(H,32,33)(H,36,38)(H2,31,34,35);3-13,15,17H,14H2,1-2H3,(H,31,32)(H,35,36)(H2,30,33,34);2*1H4/t26-;2*16-;17-;;/m0000../s1.

What are the key properties of 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;methane?

5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;methane has a molecular weight of 2136.46 g/mol, XLogP of 22.44, 29 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;methane is sourced from PubChem (CID 157233913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).