4-[4-(2-fluoro-3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C22H20FN5O2 — CID 118869459

IUPAC4-[4-(2-fluoro-3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1F
InChIInChI=1S/C22H20FN5O2/c1-29-18-4-2-3-14(20(18)23)16-13-19(28-9-11-30-12-10-28)26-21-15(16)5-7-24-22(21)17-6-8-25-27-17/h2-8,13H,9-12H2,1H3,(H,25,27)
InChIKeyVTKPANJZZYURBU-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.67
Rot. Bonds4

About 4-[4-(2-fluoro-3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-(2-fluoro-3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869459) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-[4-(2-fluoro-3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-fluoro-3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869459
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name4-[4-(2-fluoro-3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1F
InChIInChI=1S/C22H20FN5O2/c1-29-18-4-2-3-14(20(18)23)16-13-19(28-9-11-30-12-10-28)26-21-15(16)5-7-24-22(21)17-6-8-25-27-17/h2-8,13H,9-12H2,1H3,(H,25,27)
InChIKeyVTKPANJZZYURBU-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

N8-[(2S)-3,3-dimethylbutan-2-yl]-N2-[2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386882
N2-(2-Methoxy-4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl)-N8-Neopentylpyrido[3,4-D]pyrimidine-2,8-Diamine
CID 73387064
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
Pyridazino(4,3-c)isoquinoline, 3-(4-methoxyphenyl)-6-(4-morpholinyl)-
CID 13526635
2-(4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 10294883
Pyrazole, 16
CID 11567059
N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 73386768
8-N-cyclohexyl-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386878
1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555167
N2-(4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-methoxyphenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 90000938
5-Isopropoxy-3-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400782
Ker-047
CID 142464264

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluoro-3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-fluoro-3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869459) is 4-[4-(2-fluoro-3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-fluoro-3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-fluoro-3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is COc1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1F.
What is the InChIKey of 4-[4-(2-fluoro-3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is VTKPANJZZYURBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-29-18-4-2-3-14(20(18)23)16-13-19(28-9-11-30-12-10-28)26-21-15(16)5-7-24-22(21)17-6-8-25-27-17/h2-8,13H,9-12H2,1H3,(H,25,27).
What are the key properties of 4-[4-(2-fluoro-3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(2-fluoro-3-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-3-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).