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

C22H20FN5O2 — CID 118869556

IUPAC4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1ccc(F)c(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C22H20FN5O2/c1-29-14-2-3-18(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/h2-7,12-13H,8-11H2,1H3,(H,25,27)
InChIKeyXTZHMKQBVZWEHO-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.67
Rot. Bonds4

About 4-[4-(2-fluoro-5-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 (PubChem CID 118869556) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-[4-(2-fluoro-5-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
PubChem CID118869556
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1ccc(F)c(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C22H20FN5O2/c1-29-14-2-3-18(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/h2-7,12-13H,8-11H2,1H3,(H,25,27)
InChIKeyXTZHMKQBVZWEHO-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

4-[4-(2,4-difluorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118890777
4-[4-(2-fluoro-4-methylsulfinylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 166750313
4-[4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869383
4-[4-(6-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869521
4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine
CID 130287257
5-methyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one
CID 166750413
4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869614
4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 122585593
imino-methyl-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfane
CID 118890824
2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxamide
CID 118869329
(2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine
CID 118869266
5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 134446608

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?
The IUPAC name of 4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869556) is 4-[4-(2-fluoro-5-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?
The canonical SMILES for 4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is COc1ccc(F)c(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.
What is the InChIKey of 4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is XTZHMKQBVZWEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-29-14-2-3-18(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/h2-7,12-13H,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-(2-fluoro-5-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-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).