(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C122H121N29O8 — CID 158866774

About (3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide

(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 158866774) has the molecular formula C122H121N29O8 and a molecular weight of 2121.50 g/mol. Its IUPAC name is (3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
• PubChem CID: 158866774
• Molecular Formula: C122H121N29O8
• Molecular Weight: 2121.50 g/mol
• Exact Mass: 2120.00
• IUPAC Name: (3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
• SMILES: Cc1ccccc1-c1cc2cc(NC(=O)C3[C@H]4CN(C5COC5)C[C@@H]34)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn([C@@H]4CCCN(C)C4=O)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn([C@H]4CCCN(C)C4=O)c3)ncc2c(N)n1.Nc1nc(-c2ccccc2CCO)cc2cc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)ncc12.Nc1nc(-c2ccccc2CCO)cc2cc(NC(=O)[C@H]3C[C@@H]3c3cccnc3)ncc12
• InChI: InChI=1S/2C25H23N5O2.2C24H25N7O.C24H25N5O2/c2*26-24-21-14-28-23(30-25(32)20-12-19(20)16-5-3-8-27-13-16)11-17(21)10-22(29-24)18-6-2-1-4-15(18)7-9-31;2*1-15-6-3-4-7-18(15)20-10-16-11-22(26-13-19(16)23(25)29-20)28-17-12-27-31(14-17)21-8-5-9-30(2)24(21)32;1-13-4-2-3-5-16(13)20-6-14-7-21(26-8-17(14)23(25)27-20)28-24(30)22-18-9-29(10-19(18)22)15-11-31-12-15/h2*1-6,8,10-11,13-14,19-20,31H,7,9,12H2,(H2,26,29)(H,28,30,32);2*3-4,6-7,10-14,21H,5,8-9H2,1-2H3,(H2,25,29)(H,26,28);2-8,15,18-19,22H,9-12H2,1H3,(H2,25,27)(H,26,28,30)/t2*19-,20+;2*21-;18-,19+,22?/m1010./s1
• InChIKey: JBIIPBJGOCCNLA-GEVXBQEGSA-N
• XLogP: 17.65
• TPSA: 525.33 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2121.50
LogP ≤ 5	17.65
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?

The IUPAC name of (3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 158866774) is (3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

What is the SMILES notation for (3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?

The canonical SMILES for (3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide is Cc1ccccc1-c1cc2cc(NC(=O)C3[C@H]4CN(C5COC5)C[C@@H]34)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn([C@@H]4CCCN(C)C4=O)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn([C@H]4CCCN(C)C4=O)c3)ncc2c(N)n1.Nc1nc(-c2ccccc2CCO)cc2cc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)ncc12.Nc1nc(-c2ccccc2CCO)cc2cc(NC(=O)[C@H]3C[C@@H]3c3cccnc3)ncc12.

What is the InChIKey of (3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?

The InChIKey is JBIIPBJGOCCNLA-GEVXBQEGSA-N. The full InChI is InChI=1S/2C25H23N5O2.2C24H25N7O.C24H25N5O2/c2*26-24-21-14-28-23(30-25(32)20-12-19(20)16-5-3-8-27-13-16)11-17(21)10-22(29-24)18-6-2-1-4-15(18)7-9-31;2*1-15-6-3-4-7-18(15)20-10-16-11-22(26-13-19(16)23(25)29-20)28-17-12-27-31(14-17)21-8-5-9-30(2)24(21)32;1-13-4-2-3-5-16(13)20-6-14-7-21(26-8-17(14)23(25)27-20)28-24(30)22-18-9-29(10-19(18)22)15-11-31-12-15/h2*1-6,8,10-11,13-14,19-20,31H,7,9,12H2,(H2,26,29)(H,28,30,32);2*3-4,6-7,10-14,21H,5,8-9H2,1-2H3,(H2,25,29)(H,26,28);2-8,15,18-19,22H,9-12H2,1H3,(H2,25,27)(H,26,28,30)/t2*19-,20+;2*21-;18-,19+,22?/m1010./s1.

What are the key properties of (3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?

(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 2121.50 g/mol, XLogP of 17.65, 24 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 158866774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).