(6S)-6-[[7-(1-ethylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine

C21H26N4O2 — CID 175950119

IUPAC(6S)-6-[[7-(1-ethylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
SMILESCCn1ccc(-c2cc3ncccc3c(OC[C@@H]3CNCC(C)(C)O3)n2)c1
InChIInChI=1S/C21H26N4O2/c1-4-25-9-7-15(12-25)18-10-19-17(6-5-8-23-19)20(24-18)26-13-16-11-22-14-21(2,3)27-16/h5-10,12,16,22H,4,11,13-14H2,1-3H3/t16-/m0/s1
InChIKeySTWYBCOSYCELTN-INIZCTEOSA-N
MW366.47 g/mol
LogP3.26
Rot. Bonds5

About (6S)-6-[[7-(1-ethylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine

(6S)-6-[[7-(1-ethylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine (PubChem CID 175950119) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (6S)-6-[[7-(1-ethylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name(6S)-6-[[7-(1-ethylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
PubChem CID175950119
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(6S)-6-[[7-(1-ethylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
SMILESCCn1ccc(-c2cc3ncccc3c(OC[C@@H]3CNCC(C)(C)O3)n2)c1
InChIInChI=1S/C21H26N4O2/c1-4-25-9-7-15(12-25)18-10-19-17(6-5-8-23-19)20(24-18)26-13-16-11-22-14-21(2,3)27-16/h5-10,12,16,22H,4,11,13-14H2,1-3H3/t16-/m0/s1
InChIKeySTWYBCOSYCELTN-INIZCTEOSA-N
XLogP3.26
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[[7-(1-ethylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine?
The IUPAC name of (6S)-6-[[7-(1-ethylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine (CID 175950119) is (6S)-6-[[7-(1-ethylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine.
What is the SMILES notation for (6S)-6-[[7-(1-ethylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine?
The canonical SMILES for (6S)-6-[[7-(1-ethylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine is CCn1ccc(-c2cc3ncccc3c(OC[C@@H]3CNCC(C)(C)O3)n2)c1.
What is the InChIKey of (6S)-6-[[7-(1-ethylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine?
The InChIKey is STWYBCOSYCELTN-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-4-25-9-7-15(12-25)18-10-19-17(6-5-8-23-19)20(24-18)26-13-16-11-22-14-21(2,3)27-16/h5-10,12,16,22H,4,11,13-14H2,1-3H3/t16-/m0/s1.
What are the key properties of (6S)-6-[[7-(1-ethylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine?
(6S)-6-[[7-(1-ethylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine has a molecular weight of 366.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[[7-(1-ethylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 175950119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).