(6S)-6-[[7-(1-tert-butylpyrazol-4-yl)-3-ethenyl-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine

C24H31N5O2 — CID 176863517

IUPAC(6S)-6-[[7-(1-tert-butylpyrazol-4-yl)-3-ethenyl-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
SMILESC=Cc1cnc2cc(-c3cnn(C(C)(C)C)c3)nc(OC[C@@H]3CNCC(C)(C)O3)c2c1
InChIInChI=1S/C24H31N5O2/c1-7-16-8-19-21(26-10-16)9-20(17-11-27-29(13-17)23(2,3)4)28-22(19)30-14-18-12-25-15-24(5,6)31-18/h7-11,13,18,25H,1,12,14-15H2,2-6H3/t18-/m0/s1
InChIKeyXBRIFGDIERZYPL-SFHVURJKSA-N
MW421.55 g/mol
LogP4.04
Rot. Bonds5

About (6S)-6-[[7-(1-tert-butylpyrazol-4-yl)-3-ethenyl-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine

(6S)-6-[[7-(1-tert-butylpyrazol-4-yl)-3-ethenyl-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine (PubChem CID 176863517) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is (6S)-6-[[7-(1-tert-butylpyrazol-4-yl)-3-ethenyl-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name(6S)-6-[[7-(1-tert-butylpyrazol-4-yl)-3-ethenyl-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
PubChem CID176863517
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name(6S)-6-[[7-(1-tert-butylpyrazol-4-yl)-3-ethenyl-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
SMILESC=Cc1cnc2cc(-c3cnn(C(C)(C)C)c3)nc(OC[C@@H]3CNCC(C)(C)O3)c2c1
InChIInChI=1S/C24H31N5O2/c1-7-16-8-19-21(26-10-16)9-20(17-11-27-29(13-17)23(2,3)4)28-22(19)30-14-18-12-25-15-24(5,6)31-18/h7-11,13,18,25H,1,12,14-15H2,2-6H3/t18-/m0/s1
InChIKeyXBRIFGDIERZYPL-SFHVURJKSA-N
XLogP4.04
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
CID 176863457
(2S,6R)-2-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]-6-(difluoromethyl)morpholine
CID 176863436
(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-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
CID 176863525
6-[(5-bromopyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775968
2,2-dimethyl-6-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]morpholine
CID 107305928
3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one
CID 114775957
(6S)-6-[[7-(1-ethylpyrrol-3-yl)quinolin-5-yl]oxymethyl]-2,2-dimethylmorpholine
CID 176863465
6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine
CID 114869831
6-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775678
2-[(6,6-dimethylmorpholin-2-yl)methoxy]-4,6-dimethylpyridine-3-carboxamide
CID 114775730
2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine
CID 176863384

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[[7-(1-tert-butylpyrazol-4-yl)-3-ethenyl-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine?
The IUPAC name of (6S)-6-[[7-(1-tert-butylpyrazol-4-yl)-3-ethenyl-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine (CID 176863517) is (6S)-6-[[7-(1-tert-butylpyrazol-4-yl)-3-ethenyl-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine.
What is the SMILES notation for (6S)-6-[[7-(1-tert-butylpyrazol-4-yl)-3-ethenyl-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine?
The canonical SMILES for (6S)-6-[[7-(1-tert-butylpyrazol-4-yl)-3-ethenyl-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine is C=Cc1cnc2cc(-c3cnn(C(C)(C)C)c3)nc(OC[C@@H]3CNCC(C)(C)O3)c2c1.
What is the InChIKey of (6S)-6-[[7-(1-tert-butylpyrazol-4-yl)-3-ethenyl-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine?
The InChIKey is XBRIFGDIERZYPL-SFHVURJKSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-7-16-8-19-21(26-10-16)9-20(17-11-27-29(13-17)23(2,3)4)28-22(19)30-14-18-12-25-15-24(5,6)31-18/h7-11,13,18,25H,1,12,14-15H2,2-6H3/t18-/m0/s1.
What are the key properties of (6S)-6-[[7-(1-tert-butylpyrazol-4-yl)-3-ethenyl-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine?
(6S)-6-[[7-(1-tert-butylpyrazol-4-yl)-3-ethenyl-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine has a molecular weight of 421.55 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[[7-(1-tert-butylpyrazol-4-yl)-3-ethenyl-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 176863517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).