2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine

C18H22N6O2 — CID 134446532

IUPAC2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine
SMILESCC1COCCN1c1cc(OCCN)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C18H22N6O2/c1-12-11-25-9-7-24(12)16-10-15(26-8-4-19)13-2-5-20-18(17(13)22-16)14-3-6-21-23-14/h2-3,5-6,10,12H,4,7-9,11,19H2,1H3,(H,21,23)
InChIKeyXFMHWTROSFOELC-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.58
Rot. Bonds5

About 2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine

2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine (PubChem CID 134446532) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine
PubChem CID134446532
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine
SMILESCC1COCCN1c1cc(OCCN)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C18H22N6O2/c1-12-11-25-9-7-24(12)16-10-15(26-8-4-19)13-2-5-20-18(17(13)22-16)14-3-6-21-23-14/h2-3,5-6,10,12H,4,7-9,11,19H2,1H3,(H,21,23)
InChIKeyXFMHWTROSFOELC-UHFFFAOYSA-N
XLogP1.58
TPSA102.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate
CID 159883617
ethoxy-dihydroxy-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phosphanium
CID 175221055
3-fluoro-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]aniline
CID 155648481
4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446550
(3R)-3-methyl-4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118890708
4-[4-(6-fluoro-2-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446437
(3R)-3-methyl-4-[4-(4-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869269
3-methylimino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]prop-1-en-1-amine
CID 174037628
4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446512
3-methyl-4-[4-(4-methylsulfinylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446318
(3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869597
[3-imino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propyl]-propan-2-ylazanium
CID 163496665

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine?
The IUPAC name of 2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine (CID 134446532) is 2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine.
What is the SMILES notation for 2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine?
The canonical SMILES for 2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine is CC1COCCN1c1cc(OCCN)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of 2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine?
The InChIKey is XFMHWTROSFOELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-12-11-25-9-7-24(12)16-10-15(26-8-4-19)13-2-5-20-18(17(13)22-16)14-3-6-21-23-14/h2-3,5-6,10,12H,4,7-9,11,19H2,1H3,(H,21,23).
What are the key properties of 2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine?
2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine has a molecular weight of 354.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine is sourced from PubChem (CID 134446532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).