(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;(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one

C94H96N28O4 — CID 158344627

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;(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one

(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;(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one (PubChem CID 158344627) has the molecular formula C94H96N28O4 and a molecular weight of 1681.99 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;(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one.

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;(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one
• PubChem CID: 158344627
• Molecular Formula: C94H96N28O4
• Molecular Weight: 1681.99 g/mol
• Exact Mass: 1680.82
• 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;(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one
• SMILES: Cc1ccccc1-c1cc2cc(Nc3cnn([C@@H]4CCCN(C)C4=O)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn([C@@H]4CCN(C)C4=O)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn([C@H]4CCCN(C)C4=O)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn([C@H]4CCN(C)C4=O)c3)ncc2c(N)n1
• InChI: InChI=1S/2C24H25N7O.2C23H23N7O/c2*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;2*1-14-5-3-4-6-17(14)19-9-15-10-21(25-12-18(15)22(24)28-19)27-16-11-26-30(13-16)20-7-8-29(2)23(20)31/h2*3-4,6-7,10-14,21H,5,8-9H2,1-2H3,(H2,25,29)(H,26,28);2*3-6,9-13,20H,7-8H2,1-2H3,(H2,24,28)(H,25,27)/t2*21-;2*20-/m1010/s1
• InChIKey: GRORMNXXISBQQO-PZXIEPKYSA-N
• XLogP: 14.90
• TPSA: 407.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1681.99
LogP ≤ 5	14.90
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

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;(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one?

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;(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one (CID 158344627) 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;(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one.

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;(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one?

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;(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one is Cc1ccccc1-c1cc2cc(Nc3cnn([C@@H]4CCCN(C)C4=O)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn([C@@H]4CCN(C)C4=O)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn([C@H]4CCCN(C)C4=O)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn([C@H]4CCN(C)C4=O)c3)ncc2c(N)n1.

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;(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one?

The InChIKey is GRORMNXXISBQQO-PZXIEPKYSA-N. The full InChI is InChI=1S/2C24H25N7O.2C23H23N7O/c2*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;2*1-14-5-3-4-6-17(14)19-9-15-10-21(25-12-18(15)22(24)28-19)27-16-11-26-30(13-16)20-7-8-29(2)23(20)31/h2*3-4,6-7,10-14,21H,5,8-9H2,1-2H3,(H2,25,29)(H,26,28);2*3-6,9-13,20H,7-8H2,1-2H3,(H2,24,28)(H,25,27)/t2*21-;2*20-/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;(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one?

(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;(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one has a molecular weight of 1681.99 g/mol, XLogP of 14.90, 16 rotatable bonds, 8 hydrogen bond donors, and 28 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;(3R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one;(3S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 158344627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).