4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyridin-2-one;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-cyanophenyl)urea;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide

C108H95F2N29O5 — CID 157450493

About 4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyridin-2-one;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-cyanophenyl)urea;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide

4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyridin-2-one;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-cyanophenyl)urea;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 157450493) has the molecular formula C108H95F2N29O5 and a molecular weight of 1917.14 g/mol. Its IUPAC name is 4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyridin-2-one;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-cyanophenyl)urea;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyridin-2-one;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-cyanophenyl)urea;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
• PubChem CID: 157450493
• Molecular Formula: C108H95F2N29O5
• Molecular Weight: 1917.14 g/mol
• Exact Mass: 1915.80
• IUPAC Name: 4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyridin-2-one;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-cyanophenyl)urea;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
• SMILES: Cc1ccccc1-c1cc2cc(NC(=O)Nc3ccccc3C#N)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3ccn(C)c(=O)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn(CCO)c3)ncc2c(N)n1.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cn[nH]c3)cc2c1F.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cn[nH]c3)cc2c1F
• InChI: InChI=1S/C23H18N6O.2C22H19FN6O.C21H19N5O.C20H20N6O/c1-14-6-2-4-8-17(14)20-10-16-11-21(26-13-18(16)22(25)27-20)29-23(30)28-19-9-5-3-7-15(19)12-24;2*1-11-4-2-3-5-13(11)20-19(23)15-7-18(25-10-17(15)21(24)29-20)28-22(30)16-6-14(16)12-8-26-27-9-12;1-13-5-3-4-6-16(13)18-9-14-10-19(23-12-17(14)21(22)25-18)24-15-7-8-26(2)20(27)11-15;1-13-4-2-3-5-16(13)18-8-14-9-19(22-11-17(14)20(21)25-18)24-15-10-23-26(12-15)6-7-27/h2-11,13H,1H3,(H2,25,27)(H2,26,28,29,30);2*2-5,7-10,14,16H,6H2,1H3,(H2,24,29)(H,26,27)(H,25,28,30);3-12H,1-2H3,(H2,22,25)(H,23,24);2-5,8-12,27H,6-7H2,1H3,(H2,21,25)(H,22,24)/t;2*14-,16+;;/m.10../s1
• InChIKey: BSSYMTXYBDULRQ-VUOJBIORSA-N
• XLogP: 19.04
• TPSA: 523.59 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1917.14
LogP ≤ 5	19.04
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyridin-2-one;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-cyanophenyl)urea;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?

The IUPAC name of 4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyridin-2-one;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-cyanophenyl)urea;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (CID 157450493) is 4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyridin-2-one;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-cyanophenyl)urea;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for 4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyridin-2-one;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-cyanophenyl)urea;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?

The canonical SMILES for 4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyridin-2-one;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-cyanophenyl)urea;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is Cc1ccccc1-c1cc2cc(NC(=O)Nc3ccccc3C#N)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3ccn(C)c(=O)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn(CCO)c3)ncc2c(N)n1.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cn[nH]c3)cc2c1F.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cn[nH]c3)cc2c1F.

What is the InChIKey of 4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyridin-2-one;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-cyanophenyl)urea;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?

The InChIKey is BSSYMTXYBDULRQ-VUOJBIORSA-N. The full InChI is InChI=1S/C23H18N6O.2C22H19FN6O.C21H19N5O.C20H20N6O/c1-14-6-2-4-8-17(14)20-10-16-11-21(26-13-18(16)22(25)27-20)29-23(30)28-19-9-5-3-7-15(19)12-24;2*1-11-4-2-3-5-13(11)20-19(23)15-7-18(25-10-17(15)21(24)29-20)28-22(30)16-6-14(16)12-8-26-27-9-12;1-13-5-3-4-6-16(13)18-9-14-10-19(23-12-17(14)21(22)25-18)24-15-7-8-26(2)20(27)11-15;1-13-4-2-3-5-16(13)18-8-14-9-19(22-11-17(14)20(21)25-18)24-15-10-23-26(12-15)6-7-27/h2-11,13H,1H3,(H2,25,27)(H2,26,28,29,30);2*2-5,7-10,14,16H,6H2,1H3,(H2,24,29)(H,26,27)(H,25,28,30);3-12H,1-2H3,(H2,22,25)(H,23,24);2-5,8-12,27H,6-7H2,1H3,(H2,21,25)(H,22,24)/t;2*14-,16+;;/m.10../s1.

What are the key properties of 4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyridin-2-one;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-cyanophenyl)urea;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?

4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyridin-2-one;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-cyanophenyl)urea;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 1917.14 g/mol, XLogP of 19.04, 19 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyridin-2-one;2-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]ethanol;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-cyanophenyl)urea;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 157450493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).