5-[2-(2-fluorophenyl)-3-methyl-3,4-dihydro-1,8-naphthyridin-4-yl]-8-methoxy-2,6-naphthyridin-1-amine

C24H20FN5O — CID 123344424

IUPAC5-[2-(2-fluorophenyl)-3-methyl-3,4-dihydro-1,8-naphthyridin-4-yl]-8-methoxy-2,6-naphthyridin-1-amine
SMILESCOc1cnc(C2c3cccnc3N=C(c3ccccc3F)C2C)c2ccnc(N)c12
InChIInChI=1S/C24H20FN5O/c1-13-19(22-15-9-11-27-23(26)20(15)18(31-2)12-29-22)16-7-5-10-28-24(16)30-21(13)14-6-3-4-8-17(14)25/h3-13,19H,1-2H3,(H2,26,27)
InChIKeyQFIRMHOMFDBQHN-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.66
Rot. Bonds3

About 5-[2-(2-fluorophenyl)-3-methyl-3,4-dihydro-1,8-naphthyridin-4-yl]-8-methoxy-2,6-naphthyridin-1-amine

5-[2-(2-fluorophenyl)-3-methyl-3,4-dihydro-1,8-naphthyridin-4-yl]-8-methoxy-2,6-naphthyridin-1-amine (PubChem CID 123344424) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)-3-methyl-3,4-dihydro-1,8-naphthyridin-4-yl]-8-methoxy-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)-3-methyl-3,4-dihydro-1,8-naphthyridin-4-yl]-8-methoxy-2,6-naphthyridin-1-amine
PubChem CID123344424
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC Name5-[2-(2-fluorophenyl)-3-methyl-3,4-dihydro-1,8-naphthyridin-4-yl]-8-methoxy-2,6-naphthyridin-1-amine
SMILESCOc1cnc(C2c3cccnc3N=C(c3ccccc3F)C2C)c2ccnc(N)c12
InChIInChI=1S/C24H20FN5O/c1-13-19(22-15-9-11-27-23(26)20(15)18(31-2)12-29-22)16-7-5-10-28-24(16)30-21(13)14-6-3-4-8-17(14)25/h3-13,19H,1-2H3,(H2,26,27)
InChIKeyQFIRMHOMFDBQHN-UHFFFAOYSA-N
XLogP4.66
TPSA86.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)-3-methyl-3,4-dihydro-1,8-naphthyridin-4-yl]-8-methoxy-2,6-naphthyridin-1-amine?
The IUPAC name of 5-[2-(2-fluorophenyl)-3-methyl-3,4-dihydro-1,8-naphthyridin-4-yl]-8-methoxy-2,6-naphthyridin-1-amine (CID 123344424) is 5-[2-(2-fluorophenyl)-3-methyl-3,4-dihydro-1,8-naphthyridin-4-yl]-8-methoxy-2,6-naphthyridin-1-amine.
What is the SMILES notation for 5-[2-(2-fluorophenyl)-3-methyl-3,4-dihydro-1,8-naphthyridin-4-yl]-8-methoxy-2,6-naphthyridin-1-amine?
The canonical SMILES for 5-[2-(2-fluorophenyl)-3-methyl-3,4-dihydro-1,8-naphthyridin-4-yl]-8-methoxy-2,6-naphthyridin-1-amine is COc1cnc(C2c3cccnc3N=C(c3ccccc3F)C2C)c2ccnc(N)c12.
What is the InChIKey of 5-[2-(2-fluorophenyl)-3-methyl-3,4-dihydro-1,8-naphthyridin-4-yl]-8-methoxy-2,6-naphthyridin-1-amine?
The InChIKey is QFIRMHOMFDBQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c1-13-19(22-15-9-11-27-23(26)20(15)18(31-2)12-29-22)16-7-5-10-28-24(16)30-21(13)14-6-3-4-8-17(14)25/h3-13,19H,1-2H3,(H2,26,27).
What are the key properties of 5-[2-(2-fluorophenyl)-3-methyl-3,4-dihydro-1,8-naphthyridin-4-yl]-8-methoxy-2,6-naphthyridin-1-amine?
5-[2-(2-fluorophenyl)-3-methyl-3,4-dihydro-1,8-naphthyridin-4-yl]-8-methoxy-2,6-naphthyridin-1-amine has a molecular weight of 413.46 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenyl)-3-methyl-3,4-dihydro-1,8-naphthyridin-4-yl]-8-methoxy-2,6-naphthyridin-1-amine is sourced from PubChem (CID 123344424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).