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

C22H20FN5O2 — CID 118869557

IUPAC4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1ccc(F)cc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C22H20FN5O2/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/h2-7,12-13H,8-11H2,1H3,(H,25,27)
InChIKeyHZOCNMWJZUJGAI-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.67
Rot. Bonds4

About 4-[4-(5-fluoro-2-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 118869557) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869557
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1ccc(F)cc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C22H20FN5O2/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/h2-7,12-13H,8-11H2,1H3,(H,25,27)
InChIKeyHZOCNMWJZUJGAI-UHFFFAOYSA-N
XLogP3.67
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 11567059
CID 67462112
CID 67462112
CID 73386878
CID 73386878
CID 71555167
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CID 90000938
CID 90000938
CID 56968075
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CID 13526631
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CID 155817683
CID 155817683

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869557) is 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-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is COc1ccc(F)cc1-c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of 4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is HZOCNMWJZUJGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/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/h2-7,12-13H,8-11H2,1H3,(H,25,27).
What are the key properties of 4-[4-(5-fluoro-2-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 405.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoro-2-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).