[7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-chloro-1-cyclopropyl-5-methyl-4-oxo-1,6-naphthyridin-3-yl] hydrogen carbonate

C20H23ClN4O5 — CID 70109985

About [7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-chloro-1-cyclopropyl-5-methyl-4-oxo-1,6-naphthyridin-3-yl] hydrogen carbonate

[7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-chloro-1-cyclopropyl-5-methyl-4-oxo-1,6-naphthyridin-3-yl] hydrogen carbonate (PubChem CID 70109985) has the molecular formula C20H23ClN4O5 and a molecular weight of 434.88 g/mol. Its IUPAC name is [7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-chloro-1-cyclopropyl-5-methyl-4-oxo-1,6-naphthyridin-3-yl] hydrogen carbonate.

Molecular Properties

• Compound Name: [7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-chloro-1-cyclopropyl-5-methyl-4-oxo-1,6-naphthyridin-3-yl] hydrogen carbonate
• PubChem CID: 70109985
• Molecular Formula: C20H23ClN4O5
• Molecular Weight: 434.88 g/mol
• Exact Mass: 434.14
• IUPAC Name: [7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-chloro-1-cyclopropyl-5-methyl-4-oxo-1,6-naphthyridin-3-yl] hydrogen carbonate
• SMILES: Cc1nc(N2CC3CCOC3(CN)C2)c(Cl)c2c1c(=O)c(OC(=O)O)cn2C1CC1
• InChI: InChI=1S/C20H23ClN4O5/c1-10-14-16(25(12-2-3-12)7-13(17(14)26)30-19(27)28)15(21)18(23-10)24-6-11-4-5-29-20(11,8-22)9-24/h7,11-12H,2-6,8-9,22H2,1H3,(H,27,28)
• InChIKey: HFTMJOQATJBAAI-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 119.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.88
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-chloro-1-cyclopropyl-5-methyl-4-oxo-1,6-naphthyridin-3-yl] hydrogen carbonate?

The IUPAC name of [7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-chloro-1-cyclopropyl-5-methyl-4-oxo-1,6-naphthyridin-3-yl] hydrogen carbonate (CID 70109985) is [7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-chloro-1-cyclopropyl-5-methyl-4-oxo-1,6-naphthyridin-3-yl] hydrogen carbonate.

What is the SMILES notation for [7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-chloro-1-cyclopropyl-5-methyl-4-oxo-1,6-naphthyridin-3-yl] hydrogen carbonate?

The canonical SMILES for [7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-chloro-1-cyclopropyl-5-methyl-4-oxo-1,6-naphthyridin-3-yl] hydrogen carbonate is Cc1nc(N2CC3CCOC3(CN)C2)c(Cl)c2c1c(=O)c(OC(=O)O)cn2C1CC1.

What is the InChIKey of [7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-chloro-1-cyclopropyl-5-methyl-4-oxo-1,6-naphthyridin-3-yl] hydrogen carbonate?

The InChIKey is HFTMJOQATJBAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O5/c1-10-14-16(25(12-2-3-12)7-13(17(14)26)30-19(27)28)15(21)18(23-10)24-6-11-4-5-29-20(11,8-22)9-24/h7,11-12H,2-6,8-9,22H2,1H3,(H,27,28).

What are the key properties of [7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-chloro-1-cyclopropyl-5-methyl-4-oxo-1,6-naphthyridin-3-yl] hydrogen carbonate?

[7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-chloro-1-cyclopropyl-5-methyl-4-oxo-1,6-naphthyridin-3-yl] hydrogen carbonate has a molecular weight of 434.88 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-chloro-1-cyclopropyl-5-methyl-4-oxo-1,6-naphthyridin-3-yl] hydrogen carbonate is sourced from PubChem (CID 70109985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).