(7S,8R)-2-[[8-(1-acetyl-3-methylazetidin-3-yl)oxy-5-(2-aminopropan-2-yl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one

C27H32N6O4 — CID 165117445

About (7S,8R)-2-[[8-(1-acetyl-3-methylazetidin-3-yl)oxy-5-(2-aminopropan-2-yl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one

(7S,8R)-2-[[8-(1-acetyl-3-methylazetidin-3-yl)oxy-5-(2-aminopropan-2-yl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 165117445) has the molecular formula C27H32N6O4 and a molecular weight of 504.59 g/mol. Its IUPAC name is (7S,8R)-2-[[8-(1-acetyl-3-methylazetidin-3-yl)oxy-5-(2-aminopropan-2-yl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one.

Molecular Properties

• Compound Name: (7S,8R)-2-[[8-(1-acetyl-3-methylazetidin-3-yl)oxy-5-(2-aminopropan-2-yl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
• PubChem CID: 165117445
• Molecular Formula: C27H32N6O4
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.25
• IUPAC Name: (7S,8R)-2-[[8-(1-acetyl-3-methylazetidin-3-yl)oxy-5-(2-aminopropan-2-yl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
• SMILES: CC(=O)N1CC(C)(Oc2ncc(C(C)(C)N)c3cc(Nc4ccc5c(n4)[C@@H](C)[C@H](C)OC5=O)ncc23)C1
• InChI: InChI=1S/C27H32N6O4/c1-14-15(2)36-25(35)17-7-8-21(32-23(14)17)31-22-9-18-19(10-29-22)24(30-11-20(18)26(4,5)28)37-27(6)12-33(13-27)16(3)34/h7-11,14-15H,12-13,28H2,1-6H3,(H,29,31,32)/t14-,15-/m0/s1
• InChIKey: OGDOODLMBBZPKN-GJZGRUSLSA-N
• XLogP: 3.62
• TPSA: 132.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (7S,8R)-2-[[8-(1-acetyl-3-methylazetidin-3-yl)oxy-5-(2-aminopropan-2-yl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?

The IUPAC name of (7S,8R)-2-[[8-(1-acetyl-3-methylazetidin-3-yl)oxy-5-(2-aminopropan-2-yl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 165117445) is (7S,8R)-2-[[8-(1-acetyl-3-methylazetidin-3-yl)oxy-5-(2-aminopropan-2-yl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one.

What is the SMILES notation for (7S,8R)-2-[[8-(1-acetyl-3-methylazetidin-3-yl)oxy-5-(2-aminopropan-2-yl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?

The canonical SMILES for (7S,8R)-2-[[8-(1-acetyl-3-methylazetidin-3-yl)oxy-5-(2-aminopropan-2-yl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is CC(=O)N1CC(C)(Oc2ncc(C(C)(C)N)c3cc(Nc4ccc5c(n4)[C@@H](C)[C@H](C)OC5=O)ncc23)C1.

What is the InChIKey of (7S,8R)-2-[[8-(1-acetyl-3-methylazetidin-3-yl)oxy-5-(2-aminopropan-2-yl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?

The InChIKey is OGDOODLMBBZPKN-GJZGRUSLSA-N. The full InChI is InChI=1S/C27H32N6O4/c1-14-15(2)36-25(35)17-7-8-21(32-23(14)17)31-22-9-18-19(10-29-22)24(30-11-20(18)26(4,5)28)37-27(6)12-33(13-27)16(3)34/h7-11,14-15H,12-13,28H2,1-6H3,(H,29,31,32)/t14-,15-/m0/s1.

What are the key properties of (7S,8R)-2-[[8-(1-acetyl-3-methylazetidin-3-yl)oxy-5-(2-aminopropan-2-yl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one?

(7S,8R)-2-[[8-(1-acetyl-3-methylazetidin-3-yl)oxy-5-(2-aminopropan-2-yl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one has a molecular weight of 504.59 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (7S,8R)-2-[[8-(1-acetyl-3-methylazetidin-3-yl)oxy-5-(2-aminopropan-2-yl)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165117445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).