(2S)-2-[[7-(1-propan-2-ylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine

C20H24N4O2 — CID 175950103

IUPAC(2S)-2-[[7-(1-propan-2-ylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
SMILESCC(C)n1ccc(-c2cc3ncccc3c(OC[C@@H]3CNCCO3)n2)c1
InChIInChI=1S/C20H24N4O2/c1-14(2)24-8-5-15(12-24)18-10-19-17(4-3-6-22-19)20(23-18)26-13-16-11-21-7-9-25-16/h3-6,8,10,12,14,16,21H,7,9,11,13H2,1-2H3/t16-/m0/s1
InChIKeyLXQLMQOQJLERDM-INIZCTEOSA-N
MW352.44 g/mol
LogP3.05
Rot. Bonds5

About (2S)-2-[[7-(1-propan-2-ylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine

(2S)-2-[[7-(1-propan-2-ylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine (PubChem CID 175950103) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (2S)-2-[[7-(1-propan-2-ylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[[7-(1-propan-2-ylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
PubChem CID175950103
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(2S)-2-[[7-(1-propan-2-ylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
SMILESCC(C)n1ccc(-c2cc3ncccc3c(OC[C@@H]3CNCCO3)n2)c1
InChIInChI=1S/C20H24N4O2/c1-14(2)24-8-5-15(12-24)18-10-19-17(4-3-6-22-19)20(23-18)26-13-16-11-21-7-9-25-16/h3-6,8,10,12,14,16,21H,7,9,11,13H2,1-2H3/t16-/m0/s1
InChIKeyLXQLMQOQJLERDM-INIZCTEOSA-N
XLogP3.05
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[7-(1-propan-2-ylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine with MolForge

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Related Compounds

7-Fluoro-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine
CID 71455625
7-Iodo-5-[(1-propylpiperidin-4-yl)methoxy]benzo[h][1,6]naphthyridine
CID 71457409
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 10097082
3-(7-(4-(Dimethylamino)phenyl)-1,6-naphthyridin-5-yloxy)propan-1-ol
CID 10236713
4-(5-(4-aminobutoxy)-1,6-naphthyridin-7-yl)-N,N-dimethylaniline
CID 44280048
N-[4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]phenyl]acetamide
CID 44628200
2-Methyl-4-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]pyrrolo[3,4-c]quinoline
CID 44629279
4-[(1-Butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline
CID 44629280
7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine
CID 66556033
5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine
CID 66556036
2-Methyl-4-(piperidin-4-ylmethoxy)pyrrolo[3,4-c]quinoline
CID 67211178
4-[2-[4-[(2-Methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]aniline;hydrochloride
CID 67211619

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[7-(1-propan-2-ylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine?
The IUPAC name of (2S)-2-[[7-(1-propan-2-ylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine (CID 175950103) is (2S)-2-[[7-(1-propan-2-ylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine.
What is the SMILES notation for (2S)-2-[[7-(1-propan-2-ylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine?
The canonical SMILES for (2S)-2-[[7-(1-propan-2-ylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine is CC(C)n1ccc(-c2cc3ncccc3c(OC[C@@H]3CNCCO3)n2)c1.
What is the InChIKey of (2S)-2-[[7-(1-propan-2-ylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine?
The InChIKey is LXQLMQOQJLERDM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14(2)24-8-5-15(12-24)18-10-19-17(4-3-6-22-19)20(23-18)26-13-16-11-21-7-9-25-16/h3-6,8,10,12,14,16,21H,7,9,11,13H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-2-[[7-(1-propan-2-ylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine?
(2S)-2-[[7-(1-propan-2-ylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine has a molecular weight of 352.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[7-(1-propan-2-ylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine is sourced from PubChem (CID 175950103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).