4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C44H40F2N10O4 — CID 118869555

IUPAC4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1ccc(F)c(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.COc1ccc(F)cc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/2C22H20FN5O2/c1-29-19-3-2-14(23)12-17(19)16-13-20(28-8-10-30-11-9-28)26-21-15(16)4-6-24-22(21)18-5-7-25-27-18;1-29-14-2-3-18(23)17(12-14)16-13-20(28-8-10-30-11-9-28)26-21-15(16)4-6-24-22(21)19-5-7-25-27-19/h2*2-7,12-13H,8-11H2,1H3,(H,25,27)
InChIKeyUWYUPJAPOPNQCR-UHFFFAOYSA-N
MW810.87 g/mol
LogP7.34
Rot. Bonds8

About 4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869555) has the molecular formula C44H40F2N10O4 and a molecular weight of 810.87 g/mol. Its IUPAC name is 4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869555
Molecular FormulaC44H40F2N10O4
Molecular Weight810.87 g/mol
Exact Mass810.32
IUPAC Name4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1ccc(F)c(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.COc1ccc(F)cc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/2C22H20FN5O2/c1-29-19-3-2-14(23)12-17(19)16-13-20(28-8-10-30-11-9-28)26-21-15(16)4-6-24-22(21)18-5-7-25-27-18;1-29-14-2-3-18(23)17(12-14)16-13-20(28-8-10-30-11-9-28)26-21-15(16)4-6-24-22(21)19-5-7-25-27-19/h2*2-7,12-13H,8-11H2,1H3,(H,25,27)
InChIKeyUWYUPJAPOPNQCR-UHFFFAOYSA-N
XLogP7.34
TPSA152.32 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500810.87
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869555) is 4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is COc1ccc(F)c(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.COc1ccc(F)cc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of 4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is UWYUPJAPOPNQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H20FN5O2/c1-29-19-3-2-14(23)12-17(19)16-13-20(28-8-10-30-11-9-28)26-21-15(16)4-6-24-22(21)18-5-7-25-27-18;1-29-14-2-3-18(23)17(12-14)16-13-20(28-8-10-30-11-9-28)26-21-15(16)4-6-24-22(21)19-5-7-25-27-19/h2*2-7,12-13H,8-11H2,1H3,(H,25,27).
What are the key properties of 4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 810.87 g/mol, XLogP of 7.34, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).