2-aminoethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate

C27H21ClFN5O4 — CID 44548246

About 2-aminoethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate

2-aminoethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate (PubChem CID 44548246) has the molecular formula C27H21ClFN5O4 and a molecular weight of 533.95 g/mol. Its IUPAC name is 2-aminoethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate.

Molecular Properties

• Compound Name: 2-aminoethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate
• PubChem CID: 44548246
• Molecular Formula: C27H21ClFN5O4
• Molecular Weight: 533.95 g/mol
• Exact Mass: 533.13
• IUPAC Name: 2-aminoethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate
• SMILES: NCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2cccnc2nc1Cl)CCO3
• InChI: InChI=1S/C27H21ClFN5O4/c28-24-15(11-14-3-1-7-31-25(14)33-24)13-34-19-12-18(29)16-5-9-37-23(16)21(19)20(17-4-2-8-32-26(17)35)22(34)27(36)38-10-6-30/h1-4,7-8,11-12H,5-6,9-10,13,30H2,(H,32,35)
• InChIKey: GYAZZGXETZPYJY-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 125.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.95
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate?

The IUPAC name of 2-aminoethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate (CID 44548246) is 2-aminoethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate.

What is the SMILES notation for 2-aminoethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate?

The canonical SMILES for 2-aminoethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate is NCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2cccnc2nc1Cl)CCO3.

What is the InChIKey of 2-aminoethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate?

The InChIKey is GYAZZGXETZPYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClFN5O4/c28-24-15(11-14-3-1-7-31-25(14)33-24)13-34-19-12-18(29)16-5-9-37-23(16)21(19)20(17-4-2-8-32-26(17)35)22(34)27(36)38-10-6-30/h1-4,7-8,11-12H,5-6,9-10,13,30H2,(H,32,35).

What are the key properties of 2-aminoethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate?

2-aminoethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate has a molecular weight of 533.95 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoethyl 6-[(2-chloro-1,8-naphthyridin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate is sourced from PubChem (CID 44548246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).