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

C27H33N5O5S — CID 166483938

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

(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-[(1R,3R)-3-methylsulfonylcyclopentyl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (PubChem CID 166483938) has the molecular formula C27H33N5O5S and a molecular weight of 539.66 g/mol. Its IUPAC name is (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-[(1R,3R)-3-methylsulfonylcyclopentyl]oxy-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-[[5-(2-aminopropan-2-yl)-8-[(1R,3R)-3-methylsulfonylcyclopentyl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
• PubChem CID: 166483938
• Molecular Formula: C27H33N5O5S
• Molecular Weight: 539.66 g/mol
• Exact Mass: 539.22
• IUPAC Name: (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-[(1R,3R)-3-methylsulfonylcyclopentyl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
• SMILES: C[C@@H]1OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(O[C@@H]5CC[C@@H](S(C)(=O)=O)C5)c4cn3)nc2[C@H]1C
• InChI: InChI=1S/C27H33N5O5S/c1-14-15(2)36-26(33)18-8-9-22(32-24(14)18)31-23-11-19-20(12-29-23)25(30-13-21(19)27(3,4)28)37-16-6-7-17(10-16)38(5,34)35/h8-9,11-17H,6-7,10,28H2,1-5H3,(H,29,31,32)/t14-,15-,16+,17+/m0/s1
• InChIKey: VANDTPRNICUOBZ-MWDXBVQZSA-N
• XLogP: 3.97
• TPSA: 146.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.66
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-[(1R,3R)-3-methylsulfonylcyclopentyl]oxy-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-[[5-(2-aminopropan-2-yl)-8-[(1R,3R)-3-methylsulfonylcyclopentyl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one (CID 166483938) is (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-[(1R,3R)-3-methylsulfonylcyclopentyl]oxy-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-[[5-(2-aminopropan-2-yl)-8-[(1R,3R)-3-methylsulfonylcyclopentyl]oxy-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-[[5-(2-aminopropan-2-yl)-8-[(1R,3R)-3-methylsulfonylcyclopentyl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is C[C@@H]1OC(=O)c2ccc(Nc3cc4c(C(C)(C)N)cnc(O[C@@H]5CC[C@@H](S(C)(=O)=O)C5)c4cn3)nc2[C@H]1C.

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

The InChIKey is VANDTPRNICUOBZ-MWDXBVQZSA-N. The full InChI is InChI=1S/C27H33N5O5S/c1-14-15(2)36-26(33)18-8-9-22(32-24(14)18)31-23-11-19-20(12-29-23)25(30-13-21(19)27(3,4)28)37-16-6-7-17(10-16)38(5,34)35/h8-9,11-17H,6-7,10,28H2,1-5H3,(H,29,31,32)/t14-,15-,16+,17+/m0/s1.

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

(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-[(1R,3R)-3-methylsulfonylcyclopentyl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one has a molecular weight of 539.66 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-[(1R,3R)-3-methylsulfonylcyclopentyl]oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 166483938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).