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]propan-1-ol;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;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C130H129F2N35O7 — CID 157371027

About 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]propan-1-ol;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;trans-(1R,2R)-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;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol;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;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 157371027) has the molecular formula C130H129F2N35O7 and a molecular weight of 2331.70 g/mol. Its IUPAC name is 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]propan-1-ol;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;trans-(1R,2R)-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;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol;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;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• PubChem CID: 157371027
• Molecular Formula: C130H129F2N35O7
• Molecular Weight: 2331.70 g/mol
• Exact Mass: 2330.08
• IUPAC Name: 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]propan-1-ol;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;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• SMILES: 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.Cc1ccccc1-c1cc2cc(Nc3cnn([C@H](C)CO)c3)ncc2c(N)n1.Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4ccccc4CCO)nc(N)c3cn2)cn1.Cn1cc([C@H]2C[C@@H]2C(=O)Nc2cc3cc(-c4ccccc4CCO)nc(N)c3cn2)cn1
• InChI: InChI=1S/2C24H24N6O2.C21H19N7.C21H22N6O.2C20H20FN5O/c2*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;1-13-5-3-4-6-17(13)19-7-15-8-20(23-10-18(15)21(22)26-19)25-16-9-24-27(11-16)14(2)12-28;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/h2*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);3-11,14,28H,12H2,1-2H3,(H2,22,26)(H,23,25);2*3-7,9,13,15,23H,8H2,1-2H3,(H2,22,25)(H,24,26,27)/t2*18-,19+;;14-;2*13-,15+/m10.110/s1
• InChIKey: BJTNXBSNFDYNEU-JXDNMULWSA-N
• XLogP: 20.72
• TPSA: 631.08 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 38
• Rotatable Bonds: 29
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2331.70
LogP ≤ 5	20.72
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	38

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;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol;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;trans-(1R,2R)-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;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol;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;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 157371027) is 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]propan-1-ol;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;trans-(1R,2R)-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;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol;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;trans-(1R,2R)-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;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol;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;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is 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.Cc1ccccc1-c1cc2cc(Nc3cnn([C@H](C)CO)c3)ncc2c(N)n1.Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4ccccc4CCO)nc(N)c3cn2)cn1.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;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol;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;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The InChIKey is BJTNXBSNFDYNEU-JXDNMULWSA-N. The full InChI is InChI=1S/2C24H24N6O2.C21H19N7.C21H22N6O.2C20H20FN5O/c2*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;1-13-5-3-4-6-17(13)19-7-15-8-20(23-10-18(15)21(22)26-19)25-16-9-24-27(11-16)14(2)12-28;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/h2*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);3-11,14,28H,12H2,1-2H3,(H2,22,26)(H,23,25);2*3-7,9,13,15,23H,8H2,1-2H3,(H2,22,25)(H,24,26,27)/t2*18-,19+;;14-;2*13-,15+/m10.110/s1.

What are the key properties of 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]propan-1-ol;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;trans-(1R,2R)-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;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol;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;trans-(1R,2R)-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 2331.70 g/mol, XLogP of 20.72, 29 rotatable bonds, 17 hydrogen bond donors, and 38 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;(2R)-2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol;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;trans-(1R,2R)-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 157371027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).