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

C21H17F2N5O — CID 118890777

IUPAC4-[4-(2,4-difluorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESFc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c(F)c1
InChIInChI=1S/C21H17F2N5O/c22-13-1-2-14(17(23)11-13)16-12-19(28-7-9-29-10-8-28)26-20-15(16)3-5-24-21(20)18-4-6-25-27-18/h1-6,11-12H,7-10H2,(H,25,27)
InChIKeyWUUCPMZVEADKPK-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.80
Rot. Bonds3

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

4-[4-(2,4-difluorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118890777) has the molecular formula C21H17F2N5O and a molecular weight of 393.40 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2,4-difluorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118890777
Molecular FormulaC21H17F2N5O
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name4-[4-(2,4-difluorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESFc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c(F)c1
InChIInChI=1S/C21H17F2N5O/c22-13-1-2-14(17(23)11-13)16-12-19(28-7-9-29-10-8-28)26-20-15(16)3-5-24-21(20)18-4-6-25-27-18/h1-6,11-12H,7-10H2,(H,25,27)
InChIKeyWUUCPMZVEADKPK-UHFFFAOYSA-N
XLogP3.80
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-fluoro-4-methylsulfinylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 166750313
4-[4-(6-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869521
4-[4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869383
4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869556
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-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446512
3-fluoro-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]aniline
CID 155648481
4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 122585593
2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxamide
CID 118869329
4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869614
imino-methyl-[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfane
CID 118890824

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(2,4-difluorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118890777) is 4-[4-(2,4-difluorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2,4-difluorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2,4-difluorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Fc1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c(F)c1.
What is the InChIKey of 4-[4-(2,4-difluorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is WUUCPMZVEADKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O/c22-13-1-2-14(17(23)11-13)16-12-19(28-7-9-29-10-8-28)26-20-15(16)3-5-24-21(20)18-4-6-25-27-18/h1-6,11-12H,7-10H2,(H,25,27).
What are the key properties of 4-[4-(2,4-difluorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(2,4-difluorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 393.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-difluorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118890777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).