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

C23H28N4O2 — CID 176863525

IUPAC(6S)-6-[[7-(1-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
SMILESCC1(C)CNC[C@@H](COc2nc(-c3ccn(C4CCC4)c3)cc3ncccc23)O1
InChIInChI=1S/C23H28N4O2/c1-23(2)15-24-12-18(29-23)14-28-22-19-7-4-9-25-21(19)11-20(26-22)16-8-10-27(13-16)17-5-3-6-17/h4,7-11,13,17-18,24H,3,5-6,12,14-15H2,1-2H3/t18-/m0/s1
InChIKeyQWLHEJFAMOAKDN-SFHVURJKSA-N
MW392.50 g/mol
LogP3.97
Rot. Bonds5

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

(6S)-6-[[7-(1-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine (PubChem CID 176863525) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (6S)-6-[[7-(1-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name(6S)-6-[[7-(1-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
PubChem CID176863525
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(6S)-6-[[7-(1-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
SMILESCC1(C)CNC[C@@H](COc2nc(-c3ccn(C4CCC4)c3)cc3ncccc23)O1
InChIInChI=1S/C23H28N4O2/c1-23(2)15-24-12-18(29-23)14-28-22-19-7-4-9-25-21(19)11-20(26-22)16-8-10-27(13-16)17-5-3-6-17/h4,7-11,13,17-18,24H,3,5-6,12,14-15H2,1-2H3/t18-/m0/s1
InChIKeyQWLHEJFAMOAKDN-SFHVURJKSA-N
XLogP3.97
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-6-[[7-[1-(2,2-difluoroethyl)pyrrol-3-yl]-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
CID 176863402
(6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine
CID 176863465
(2S,4aR,7aS)-2-[[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
CID 176863650
(6S)-6-[[7-(1-tert-butylpyrazol-4-yl)-3-ethenyl-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
CID 176863517
(2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
CID 176863457
(2S)-2-[[7-(1-propan-2-ylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]-1,4-oxazepane
CID 176863660
(2S,6R)-2-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]-6-(difluoromethyl)morpholine
CID 176863436
(5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 58072003
(2S)-2-[[7-(5-chlorothiophen-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
CID 176863568
(2S)-2-[[7-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]oxymethyl]morpholine
CID 176863496
(6S)-6-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]-5-oxa-8-azaspiro[3.5]nonane
CID 176863329
(2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
CID 176863511

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[[7-(1-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine?
The IUPAC name of (6S)-6-[[7-(1-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine (CID 176863525) is (6S)-6-[[7-(1-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine.
What is the SMILES notation for (6S)-6-[[7-(1-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine?
The canonical SMILES for (6S)-6-[[7-(1-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine is CC1(C)CNC[C@@H](COc2nc(-c3ccn(C4CCC4)c3)cc3ncccc23)O1.
What is the InChIKey of (6S)-6-[[7-(1-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine?
The InChIKey is QWLHEJFAMOAKDN-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-23(2)15-24-12-18(29-23)14-28-22-19-7-4-9-25-21(19)11-20(26-22)16-8-10-27(13-16)17-5-3-6-17/h4,7-11,13,17-18,24H,3,5-6,12,14-15H2,1-2H3/t18-/m0/s1.
What are the key properties of (6S)-6-[[7-(1-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine?
(6S)-6-[[7-(1-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine has a molecular weight of 392.50 g/mol, XLogP of 3.97, 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-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 176863525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).