(3R,4R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-4-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-3-ol;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone

C102H112N28O7 — CID 158461337

About (3R,4R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-4-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-3-ol;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone

(3R,4R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-4-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-3-ol;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone (PubChem CID 158461337) has the molecular formula C102H112N28O7 and a molecular weight of 1842.21 g/mol. Its IUPAC name is (3R,4R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-4-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-3-ol;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: (3R,4R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-4-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-3-ol;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 158461337
• Molecular Formula: C102H112N28O7
• Molecular Weight: 1842.21 g/mol
• Exact Mass: 1840.93
• IUPAC Name: (3R,4R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-4-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-3-ol;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(n2cc(Nc3cc4cc(-c5ccccc5C)nc(N)c4cn3)cn2)C1.Cc1ccccc1-c1cc2cc(Nc3cnn([C@@H]4CN(C5COC5)CC[C@H]4O)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn([C@H]4CCN(C5COC5)C[C@@H]4O)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn([C@H]4CN(C5COC5)CC[C@@H]4O)c3)ncc2c(N)n1
• InChI: InChI=1S/3C26H29N7O2.C24H25N7O/c2*1-16-4-2-3-5-20(16)22-8-17-9-25(28-11-21(17)26(27)31-22)30-18-10-29-33(12-18)23-13-32(7-6-24(23)34)19-14-35-15-19;1-16-4-2-3-5-20(16)22-8-17-9-25(28-11-21(17)26(27)31-22)30-18-10-29-33(12-18)23-6-7-32(13-24(23)34)19-14-35-15-19;1-15-5-3-4-6-20(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/h3*2-5,8-12,19,23-24,34H,6-7,13-15H2,1H3,(H2,27,31)(H,28,30);3-6,9-13,19H,7-8,14H2,1-2H3,(H2,25,29)(H,26,28)/t3*23-,24-;/m100./s1
• InChIKey: HFFCGVSXJSTABA-TYXJSRKTSA-N
• XLogP: 13.32
• TPSA: 445.01 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1842.21
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-4-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-3-ol;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone?

The IUPAC name of (3R,4R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-4-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-3-ol;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone (CID 158461337) is (3R,4R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-4-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-3-ol;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for (3R,4R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-4-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-3-ol;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for (3R,4R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-4-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-3-ol;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(Nc3cc4cc(-c5ccccc5C)nc(N)c4cn3)cn2)C1.Cc1ccccc1-c1cc2cc(Nc3cnn([C@@H]4CN(C5COC5)CC[C@H]4O)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn([C@H]4CCN(C5COC5)C[C@@H]4O)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(Nc3cnn([C@H]4CN(C5COC5)CC[C@@H]4O)c3)ncc2c(N)n1.

What is the InChIKey of (3R,4R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-4-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-3-ol;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone?

The InChIKey is HFFCGVSXJSTABA-TYXJSRKTSA-N. The full InChI is InChI=1S/3C26H29N7O2.C24H25N7O/c2*1-16-4-2-3-5-20(16)22-8-17-9-25(28-11-21(17)26(27)31-22)30-18-10-29-33(12-18)23-13-32(7-6-24(23)34)19-14-35-15-19;1-16-4-2-3-5-20(16)22-8-17-9-25(28-11-21(17)26(27)31-22)30-18-10-29-33(12-18)23-6-7-32(13-24(23)34)19-14-35-15-19;1-15-5-3-4-6-20(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/h3*2-5,8-12,19,23-24,34H,6-7,13-15H2,1H3,(H2,27,31)(H,28,30);3-6,9-13,19H,7-8,14H2,1-2H3,(H2,25,29)(H,26,28)/t3*23-,24-;/m100./s1.

What are the key properties of (3R,4R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-4-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-3-ol;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone?

(3R,4R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-4-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-3-ol;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 1842.21 g/mol, XLogP of 13.32, 19 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-4-ol;(3S,4S)-4-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-(oxetan-3-yl)piperidin-3-ol;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 158461337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).