(2S)-2-[[7-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]oxymethyl]morpholine

C21H23F2N5O2 — CID 176863496

IUPAC(2S)-2-[[7-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]oxymethyl]morpholine
SMILESFC1(F)CC(Cn2cc(-c3cc4ncccc4c(OC[C@@H]4CNCCO4)n3)cn2)C1
InChIInChI=1S/C21H23F2N5O2/c22-21(23)7-14(8-21)11-28-12-15(9-26-28)18-6-19-17(2-1-3-25-19)20(27-18)30-13-16-10-24-4-5-29-16/h1-3,6,9,12,14,16,24H,4-5,7-8,10-11,13H2/t16-/m0/s1
InChIKeyXKLPBEHUCIJESS-INIZCTEOSA-N
MW415.44 g/mol
LogP2.91
Rot. Bonds6

About (2S)-2-[[7-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]oxymethyl]morpholine

(2S)-2-[[7-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]oxymethyl]morpholine (PubChem CID 176863496) has the molecular formula C21H23F2N5O2 and a molecular weight of 415.44 g/mol. Its IUPAC name is (2S)-2-[[7-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]oxymethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[[7-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]oxymethyl]morpholine
PubChem CID176863496
Molecular FormulaC21H23F2N5O2
Molecular Weight415.44 g/mol
Exact Mass415.18
IUPAC Name(2S)-2-[[7-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]oxymethyl]morpholine
SMILESFC1(F)CC(Cn2cc(-c3cc4ncccc4c(OC[C@@H]4CNCCO4)n3)cn2)C1
InChIInChI=1S/C21H23F2N5O2/c22-21(23)7-14(8-21)11-28-12-15(9-26-28)18-6-19-17(2-1-3-25-19)20(27-18)30-13-16-10-24-4-5-29-16/h1-3,6,9,12,14,16,24H,4-5,7-8,10-11,13H2/t16-/m0/s1
InChIKeyXKLPBEHUCIJESS-INIZCTEOSA-N
XLogP2.91
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[[7-(1-propan-2-ylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]-1,4-oxazepane
CID 176863660
(2S)-2-[[7-(5-chlorothiophen-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
CID 176863568
(2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
CID 176863511
(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
(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
2-[(3-fluoro-2-pyridinyl)oxymethyl]morpholine
CID 114468958
(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
N,N-dimethyl-5-[5-[[(2S)-morpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyridin-2-amine;hydrochloride
CID 66556886
(2R)-2-[(5-fluoroquinolin-8-yl)oxymethyl]morpholine
CID 54428524
2-[[3-(morpholin-2-ylmethoxy)pyrazin-2-yl]oxymethyl]morpholine
CID 68542805

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[7-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]oxymethyl]morpholine?
The IUPAC name of (2S)-2-[[7-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]oxymethyl]morpholine (CID 176863496) is (2S)-2-[[7-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]oxymethyl]morpholine.
What is the SMILES notation for (2S)-2-[[7-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]oxymethyl]morpholine?
The canonical SMILES for (2S)-2-[[7-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]oxymethyl]morpholine is FC1(F)CC(Cn2cc(-c3cc4ncccc4c(OC[C@@H]4CNCCO4)n3)cn2)C1.
What is the InChIKey of (2S)-2-[[7-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]oxymethyl]morpholine?
The InChIKey is XKLPBEHUCIJESS-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23F2N5O2/c22-21(23)7-14(8-21)11-28-12-15(9-26-28)18-6-19-17(2-1-3-25-19)20(27-18)30-13-16-10-24-4-5-29-16/h1-3,6,9,12,14,16,24H,4-5,7-8,10-11,13H2/t16-/m0/s1.
What are the key properties of (2S)-2-[[7-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]oxymethyl]morpholine?
(2S)-2-[[7-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]oxymethyl]morpholine has a molecular weight of 415.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[7-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-1,6-naphthyridin-5-yl]oxymethyl]morpholine is sourced from PubChem (CID 176863496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).