N-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride

C20H19ClFN5O2 — CID 146064457

IUPACN-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride
SMILESCOCCc1noc(-c2cnc3nc(C)ccc3c2Nc2ccc(F)cc2)n1.Cl
InChIInChI=1S/C20H18FN5O2.ClH/c1-12-3-8-15-18(24-14-6-4-13(21)5-7-14)16(11-22-19(15)23-12)20-25-17(26-28-20)9-10-27-2;/h3-8,11H,9-10H2,1-2H3,(H,22,23,24);1H
InChIKeyQCWCKYZBGIDSMY-UHFFFAOYSA-N
MW415.86 g/mol
LogP4.48
Rot. Bonds6

About N-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride

N-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride (PubChem CID 146064457) has the molecular formula C20H19ClFN5O2 and a molecular weight of 415.86 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride
PubChem CID146064457
Molecular FormulaC20H19ClFN5O2
Molecular Weight415.86 g/mol
Exact Mass415.12
IUPAC NameN-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride
SMILESCOCCc1noc(-c2cnc3nc(C)ccc3c2Nc2ccc(F)cc2)n1.Cl
InChIInChI=1S/C20H18FN5O2.ClH/c1-12-3-8-15-18(24-14-6-4-13(21)5-7-14)16(11-22-19(15)23-12)20-25-17(26-28-20)9-10-27-2;/h3-8,11H,9-10H2,1-2H3,(H,22,23,24);1H
InChIKeyQCWCKYZBGIDSMY-UHFFFAOYSA-N
XLogP4.48
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.86
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride
CID 146064465
N-(4-ethylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine
CID 53178434
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine
CID 53178380
N-(3-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine;hydrochloride
CID 146064374
N-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine
CID 53178355
7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methylphenyl)-1,8-naphthyridin-4-amine;hydrochloride
CID 146064357
methyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate
CID 53178349
N-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine
CID 53178418
propan-2-yl 4-(4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132109
1-ethyl-N-(4-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 10404850
methyl 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzoate;hydrochloride
CID 146064436
2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 61412543

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride?
The IUPAC name of N-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride (CID 146064457) is N-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride?
The canonical SMILES for N-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride is COCCc1noc(-c2cnc3nc(C)ccc3c2Nc2ccc(F)cc2)n1.Cl.
What is the InChIKey of N-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride?
The InChIKey is QCWCKYZBGIDSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2.ClH/c1-12-3-8-15-18(24-14-6-4-13(21)5-7-14)16(11-22-19(15)23-12)20-25-17(26-28-20)9-10-27-2;/h3-8,11H,9-10H2,1-2H3,(H,22,23,24);1H.
What are the key properties of N-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride?
N-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride has a molecular weight of 415.86 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride is sourced from PubChem (CID 146064457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).