2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;1-[(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;cis-(1R,2R)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C109H108F2N30O5 — CID 158228831

About 2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;1-[(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;cis-(1R,2R)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;1-[(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;cis-(1R,2R)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 158228831) has the molecular formula C109H108F2N30O5 and a molecular weight of 1956.26 g/mol. Its IUPAC name is 2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;1-[(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;cis-(1R,2R)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;1-[(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;cis-(1R,2R)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• PubChem CID: 158228831
• Molecular Formula: C109H108F2N30O5
• Molecular Weight: 1956.26 g/mol
• Exact Mass: 1954.91
• IUPAC Name: 2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;1-[(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;cis-(1R,2R)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• SMILES: CC(=O)N1CC[C@H](n2cc(Nc3cc4cc(-c5ccccc5C)nc(N)c4cn3)cn2)C1.CNc1cccc(-c2cc3cc(NC(=O)[C@@H]4C[C@@H]4F)ncc3c(N)n2)c1C.CNc1cccc(-c2cc3cc(NC(=O)[C@H]4C[C@H]4F)ncc3c(N)n2)c1C.Cc1ccccc1-c1cc2cc(Nc3cnn(C(C)C#N)c3)ncc2c(N)n1.Cn1cc([C@H]2C[C@@H]2C(=O)Nc2cc3cc(-c4ccccc4CCO)nc(N)c3cn2)cn1
• InChI: InChI=1S/C24H25N7O.C24H24N6O2.C21H19N7.2C20H20FN5O/c1-15-5-3-4-6-20(15)22-9-17-10-23(26-12-21(17)24(25)29-22)28-18-11-27-31(13-18)19-7-8-30(14-19)16(2)32;1-30-13-16(11-27-30)18-10-19(18)24(32)29-22-9-15-8-21(28-23(25)20(15)12-26-22)17-5-3-2-4-14(17)6-7-31;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;2*1-10-12(4-3-5-16(10)23-2)17-6-11-7-18(24-9-14(11)19(22)25-17)26-20(27)13-8-15(13)21/h3-6,9-13,19H,7-8,14H2,1-2H3,(H2,25,29)(H,26,28);2-5,8-9,11-13,18-19,31H,6-7,10H2,1H3,(H2,25,28)(H,26,29,32);3-8,10-12,14H,1-2H3,(H2,23,27)(H,24,26);2*3-7,9,13,15,23H,8H2,1-2H3,(H2,22,25)(H,24,26,27)/t19-;18-,19+;;2*13-,15+/m01.10/s1
• InChIKey: GEDBAYRHQVBSES-ZHXSTBBISA-N
• XLogP: 18.07
• TPSA: 512.21 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1956.26
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;1-[(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;cis-(1R,2R)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The IUPAC name of 2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;1-[(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;cis-(1R,2R)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 158228831) is 2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;1-[(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;cis-(1R,2R)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for 2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;1-[(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;cis-(1R,2R)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The canonical SMILES for 2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;1-[(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;cis-(1R,2R)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is CC(=O)N1CC[C@H](n2cc(Nc3cc4cc(-c5ccccc5C)nc(N)c4cn3)cn2)C1.CNc1cccc(-c2cc3cc(NC(=O)[C@@H]4C[C@@H]4F)ncc3c(N)n2)c1C.CNc1cccc(-c2cc3cc(NC(=O)[C@H]4C[C@H]4F)ncc3c(N)n2)c1C.Cc1ccccc1-c1cc2cc(Nc3cnn(C(C)C#N)c3)ncc2c(N)n1.Cn1cc([C@H]2C[C@@H]2C(=O)Nc2cc3cc(-c4ccccc4CCO)nc(N)c3cn2)cn1.

What is the InChIKey of 2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;1-[(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;cis-(1R,2R)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The InChIKey is GEDBAYRHQVBSES-ZHXSTBBISA-N. The full InChI is InChI=1S/C24H25N7O.C24H24N6O2.C21H19N7.2C20H20FN5O/c1-15-5-3-4-6-20(15)22-9-17-10-23(26-12-21(17)24(25)29-22)28-18-11-27-31(13-18)19-7-8-30(14-19)16(2)32;1-30-13-16(11-27-30)18-10-19(18)24(32)29-22-9-15-8-21(28-23(25)20(15)12-26-22)17-5-3-2-4-14(17)6-7-31;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;2*1-10-12(4-3-5-16(10)23-2)17-6-11-7-18(24-9-14(11)19(22)25-17)26-20(27)13-8-15(13)21/h3-6,9-13,19H,7-8,14H2,1-2H3,(H2,25,29)(H,26,28);2-5,8-9,11-13,18-19,31H,6-7,10H2,1H3,(H2,25,28)(H,26,29,32);3-8,10-12,14H,1-2H3,(H2,23,27)(H,24,26);2*3-7,9,13,15,23H,8H2,1-2H3,(H2,22,25)(H,24,26,27)/t19-;18-,19+;;2*13-,15+/m01.10/s1.

What are the key properties of 2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;1-[(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;cis-(1R,2R)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;1-[(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;cis-(1R,2R)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 1956.26 g/mol, XLogP of 18.07, 22 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile;1-[(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;cis-(1R,2R)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-methyl-3-(methylamino)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 158228831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).