8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-(2-methyl-3-pyridinyl)-2H-2,7-naphthyridin-3-one

C23H19FN4O2 — CID 155239980

IUPAC8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-(2-methyl-3-pyridinyl)-2H-2,7-naphthyridin-3-one
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2c[nH]c(=O)cc12
InChIInChI=1S/C23H19FN4O2/c1-13-14(3-2-7-25-13)17-10-27-23(19-12-26-22(29)9-16(17)19)28-11-18-15-6-8-30-21(15)5-4-20(18)24/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,26,29)(H,27,28)
InChIKeyIPQBFHGCDLEDCB-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.98
Rot. Bonds4

About 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-(2-methyl-3-pyridinyl)-2H-2,7-naphthyridin-3-one

8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-(2-methyl-3-pyridinyl)-2H-2,7-naphthyridin-3-one (PubChem CID 155239980) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-(2-methyl-3-pyridinyl)-2H-2,7-naphthyridin-3-one.

Molecular Properties

Compound Name8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-(2-methyl-3-pyridinyl)-2H-2,7-naphthyridin-3-one
PubChem CID155239980
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-(2-methyl-3-pyridinyl)-2H-2,7-naphthyridin-3-one
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2c[nH]c(=O)cc12
InChIInChI=1S/C23H19FN4O2/c1-13-14(3-2-7-25-13)17-10-27-23(19-12-26-22(29)9-16(17)19)28-11-18-15-6-8-30-21(15)5-4-20(18)24/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,26,29)(H,27,28)
InChIKeyIPQBFHGCDLEDCB-UHFFFAOYSA-N
XLogP3.98
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-(2-methyl-3-pyridinyl)-2H-2,7-naphthyridin-3-one?
The IUPAC name of 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-(2-methyl-3-pyridinyl)-2H-2,7-naphthyridin-3-one (CID 155239980) is 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-(2-methyl-3-pyridinyl)-2H-2,7-naphthyridin-3-one.
What is the SMILES notation for 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-(2-methyl-3-pyridinyl)-2H-2,7-naphthyridin-3-one?
The canonical SMILES for 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-(2-methyl-3-pyridinyl)-2H-2,7-naphthyridin-3-one is Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2c[nH]c(=O)cc12.
What is the InChIKey of 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-(2-methyl-3-pyridinyl)-2H-2,7-naphthyridin-3-one?
The InChIKey is IPQBFHGCDLEDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-13-14(3-2-7-25-13)17-10-27-23(19-12-26-22(29)9-16(17)19)28-11-18-15-6-8-30-21(15)5-4-20(18)24/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-(2-methyl-3-pyridinyl)-2H-2,7-naphthyridin-3-one?
8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-(2-methyl-3-pyridinyl)-2H-2,7-naphthyridin-3-one has a molecular weight of 402.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-5-(2-methyl-3-pyridinyl)-2H-2,7-naphthyridin-3-one is sourced from PubChem (CID 155239980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).