3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol;(2S)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile

C106H105N33O3 — CID 157136035

About 3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol;(2S)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile

3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol;(2S)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile (PubChem CID 157136035) has the molecular formula C106H105N33O3 and a molecular weight of 1889.23 g/mol. Its IUPAC name is 3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol;(2S)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile.

Molecular Properties

• Compound Name: 3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol;(2S)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile
• PubChem CID: 157136035
• Molecular Formula: C106H105N33O3
• Molecular Weight: 1889.23 g/mol
• Exact Mass: 1887.91
• IUPAC Name: 3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol;(2S)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile
• SMILES: CNC(=O)c1cc(Nc2cc3cc(-c4ccccc4C)nc(N)c3cn2)nn1C.Cc1ccccc1-c1cc2cc(Nc3cc(C)n(CCO)n3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn(C(C)(C)CO)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn(C(C)C#N)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn([C@@H](C)C#N)c3)ncc2c(N)n1
• InChI: InChI=1S/C22H24N6O.C21H21N7O.2C21H19N7.C21H22N6O/c1-14-6-4-5-7-17(14)19-8-15-9-20(24-11-18(15)21(23)27-19)26-16-10-25-28(12-16)22(2,3)13-29;1-12-6-4-5-7-14(12)16-8-13-9-18(24-11-15(13)20(22)25-16)26-19-10-17(21(29)23-2)28(3)27-19;2*1-13-5-3-4-6-17(13)19-7-15-8-20(24-11-18(15)21(23)27-19)26-16-10-25-28(12-16)14(2)9-22;1-13-5-3-4-6-16(13)18-10-15-11-19(23-12-17(15)21(22)24-18)25-20-9-14(2)27(26-20)7-8-28/h4-12,29H,13H2,1-3H3,(H2,23,27)(H,24,26);4-11H,1-3H3,(H2,22,25)(H,23,29)(H,24,26,27);2*3-8,10-12,14H,1-2H3,(H2,23,27)(H,24,26);3-6,9-12,28H,7-8H2,1-2H3,(H2,22,24)(H,23,25,26)/t;;14-;;/m..0../s1
• InChIKey: AJQCAFDWLVKHTL-GLAWKEQLSA-N
• XLogP: 18.73
• TPSA: 525.39 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1889.23
LogP ≤ 5	18.73
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol;(2S)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile?

The IUPAC name of 3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol;(2S)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile (CID 157136035) is 3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol;(2S)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile.

What is the SMILES notation for 3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol;(2S)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile?

The canonical SMILES for 3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol;(2S)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile is CNC(=O)c1cc(Nc2cc3cc(-c4ccccc4C)nc(N)c3cn2)nn1C.Cc1ccccc1-c1cc2cc(Nc3cc(C)n(CCO)n3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn(C(C)(C)CO)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn(C(C)C#N)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn([C@@H](C)C#N)c3)ncc2c(N)n1.

What is the InChIKey of 3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol;(2S)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile?

The InChIKey is AJQCAFDWLVKHTL-GLAWKEQLSA-N. The full InChI is InChI=1S/C22H24N6O.C21H21N7O.2C21H19N7.C21H22N6O/c1-14-6-4-5-7-17(14)19-8-15-9-20(24-11-18(15)21(23)27-19)26-16-10-25-28(12-16)22(2,3)13-29;1-12-6-4-5-7-14(12)16-8-13-9-18(24-11-15(13)20(22)25-16)26-19-10-17(21(29)23-2)28(3)27-19;2*1-13-5-3-4-6-17(13)19-7-15-8-20(24-11-18(15)21(23)27-19)26-16-10-25-28(12-16)14(2)9-22;1-13-5-3-4-6-16(13)18-10-15-11-19(23-12-17(15)21(22)24-18)25-20-9-14(2)27(26-20)7-8-28/h4-12,29H,13H2,1-3H3,(H2,23,27)(H,24,26);4-11H,1-3H3,(H2,22,25)(H,23,29)(H,24,26,27);2*3-8,10-12,14H,1-2H3,(H2,23,27)(H,24,26);3-6,9-12,28H,7-8H2,1-2H3,(H2,22,24)(H,23,25,26)/t;;14-;;/m..0../s1.

What are the key properties of 3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol;(2S)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile?

3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol;(2S)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile has a molecular weight of 1889.23 g/mol, XLogP of 18.73, 22 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide;2-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-5-methylpyrazol-1-yl]ethanol;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-2-methylpropan-1-ol;(2S)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 157136035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).