(8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-(1-methoxycyclopropanecarbonyl)azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one

C30H36N6O5 — CID 165117442

About (8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-(1-methoxycyclopropanecarbonyl)azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one

(8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-(1-methoxycyclopropanecarbonyl)azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one (PubChem CID 165117442) has the molecular formula C30H36N6O5 and a molecular weight of 560.66 g/mol. Its IUPAC name is (8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-(1-methoxycyclopropanecarbonyl)azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one.

Molecular Properties

• Compound Name: (8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-(1-methoxycyclopropanecarbonyl)azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
• PubChem CID: 165117442
• Molecular Formula: C30H36N6O5
• Molecular Weight: 560.66 g/mol
• Exact Mass: 560.27
• IUPAC Name: (8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-(1-methoxycyclopropanecarbonyl)azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
• SMILES: COC1(C(=O)N2CC(Oc3ncc(C(C)(C)N)c4cc(Nc5ccc6c(n5)[C@@H](C)C(C)(C)OC6=O)ncc34)C2)CC1
• InChI: InChI=1S/C30H36N6O5/c1-16-24-18(26(37)41-29(16,4)5)7-8-22(35-24)34-23-11-19-20(12-32-23)25(33-13-21(19)28(2,3)31)40-17-14-36(15-17)27(38)30(39-6)9-10-30/h7-8,11-13,16-17H,9-10,14-15,31H2,1-6H3,(H,32,34,35)/t16-/m1/s1
• InChIKey: SRDMKCKQKUVRRN-MRXNPFEDSA-N
• XLogP: 3.78
• TPSA: 141.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.66
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-(1-methoxycyclopropanecarbonyl)azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?

The IUPAC name of (8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-(1-methoxycyclopropanecarbonyl)azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one (CID 165117442) is (8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-(1-methoxycyclopropanecarbonyl)azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one.

What is the SMILES notation for (8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-(1-methoxycyclopropanecarbonyl)azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?

The canonical SMILES for (8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-(1-methoxycyclopropanecarbonyl)azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one is COC1(C(=O)N2CC(Oc3ncc(C(C)(C)N)c4cc(Nc5ccc6c(n5)[C@@H](C)C(C)(C)OC6=O)ncc34)C2)CC1.

What is the InChIKey of (8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-(1-methoxycyclopropanecarbonyl)azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?

The InChIKey is SRDMKCKQKUVRRN-MRXNPFEDSA-N. The full InChI is InChI=1S/C30H36N6O5/c1-16-24-18(26(37)41-29(16,4)5)7-8-22(35-24)34-23-11-19-20(12-32-23)25(33-13-21(19)28(2,3)31)40-17-14-36(15-17)27(38)30(39-6)9-10-30/h7-8,11-13,16-17H,9-10,14-15,31H2,1-6H3,(H,32,34,35)/t16-/m1/s1.

What are the key properties of (8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-(1-methoxycyclopropanecarbonyl)azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one?

(8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-(1-methoxycyclopropanecarbonyl)azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one has a molecular weight of 560.66 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-(1-methoxycyclopropanecarbonyl)azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 165117442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).