(2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine

C24H33N5O2 — CID 176863457

IUPAC(2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
SMILESCC(C)(C)[C@H]1CNC[C@@H](COc2nc(-c3cnn(C(C)(C)C)c3)cc3ncccc23)O1
InChIInChI=1S/C24H33N5O2/c1-23(2,3)21-13-25-12-17(31-21)15-30-22-18-8-7-9-26-20(18)10-19(28-22)16-11-27-29(14-16)24(4,5)6/h7-11,14,17,21,25H,12-13,15H2,1-6H3/t17-,21+/m0/s1
InChIKeyNLSFNBJKHAYYCX-LAUBAEHRSA-N
MW423.56 g/mol
LogP4.03
Rot. Bonds4

About (2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine

(2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine (PubChem CID 176863457) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is (2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine.

Molecular Properties

Compound Name(2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
PubChem CID176863457
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name(2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
SMILESCC(C)(C)[C@H]1CNC[C@@H](COc2nc(-c3cnn(C(C)(C)C)c3)cc3ncccc23)O1
InChIInChI=1S/C24H33N5O2/c1-23(2,3)21-13-25-12-17(31-21)15-30-22-18-8-7-9-26-20(18)10-19(28-22)16-11-27-29(14-16)24(4,5)6/h7-11,14,17,21,25H,12-13,15H2,1-6H3/t17-,21+/m0/s1
InChIKeyNLSFNBJKHAYYCX-LAUBAEHRSA-N
XLogP4.03
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,6R)-2-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]-6-(difluoromethyl)morpholine
CID 176863436
(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
(2S)-2-[[7-(1-propan-2-ylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]-1,4-oxazepane
CID 176863660
(6S)-6-[[7-(1-tert-butylpyrazol-4-yl)-3-ethenyl-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
CID 176863517
(2S)-2-[[7-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]oxymethyl]morpholine
CID 176863496
(6S)-6-[[7-(1-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
CID 176863525
(6S)-6-[[7-[1-(2,2-difluoroethyl)pyrrol-3-yl]-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
CID 176863402
(2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
CID 176863511
(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
(4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58072029
4-[[7-[4-methoxy-3-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 76687146

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine?
The IUPAC name of (2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine (CID 176863457) is (2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine.
What is the SMILES notation for (2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine?
The canonical SMILES for (2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine is CC(C)(C)[C@H]1CNC[C@@H](COc2nc(-c3cnn(C(C)(C)C)c3)cc3ncccc23)O1.
What is the InChIKey of (2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine?
The InChIKey is NLSFNBJKHAYYCX-LAUBAEHRSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-23(2,3)21-13-25-12-17(31-21)15-30-22-18-8-7-9-26-20(18)10-19(28-22)16-11-27-29(14-16)24(4,5)6/h7-11,14,17,21,25H,12-13,15H2,1-6H3/t17-,21+/m0/s1.
What are the key properties of (2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine?
(2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine has a molecular weight of 423.56 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-tert-butyl-6-[[7-(1-tert-butylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine is sourced from PubChem (CID 176863457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).