(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

C20H23N5O2 — CID 176863650

IUPAC(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
SMILESCn1cc(-c2cc3ncccc3c(OC[C@@H]3CN[C@@H]4CCC[C@@H]4O3)n2)cn1
InChIInChI=1S/C20H23N5O2/c1-25-11-13(9-23-25)17-8-18-15(4-3-7-21-18)20(24-17)26-12-14-10-22-16-5-2-6-19(16)27-14/h3-4,7-9,11,14,16,19,22H,2,5-6,10,12H2,1H3/t14-,16+,19-/m0/s1
InChIKeyJMRMGZYDPMOAGL-GMBSWORKSA-N
MW365.44 g/mol
LogP2.32
Rot. Bonds4

About (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

(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 (PubChem CID 176863650) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID176863650
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(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
SMILESCn1cc(-c2cc3ncccc3c(OC[C@@H]3CN[C@@H]4CCC[C@@H]4O3)n2)cn1
InChIInChI=1S/C20H23N5O2/c1-25-11-13(9-23-25)17-8-18-15(4-3-7-21-18)20(24-17)26-12-14-10-22-16-5-2-6-19(16)27-14/h3-4,7-9,11,14,16,19,22H,2,5-6,10,12H2,1H3/t14-,16+,19-/m0/s1
InChIKeyJMRMGZYDPMOAGL-GMBSWORKSA-N
XLogP2.32
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(2S)-2-[[7-(1-propan-2-ylpyrazol-4-yl)-1,6-naphthyridin-5-yl]oxymethyl]-1,4-oxazepane
CID 176863660
(6S)-6-[[7-(1-cyclobutylpyrrol-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]-2,2-dimethylmorpholine
CID 176863525
(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
7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride
CID 86706998
(5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 58072003
(2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
CID 176863511
(2S)-2-[[7-(5-chlorothiophen-3-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
CID 176863568
4-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
CID 144516403
(4R)-4-[[7-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58072091

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cn1cc(-c2cc3ncccc3c(OC[C@@H]3CN[C@@H]4CCC[C@@H]4O3)n2)cn1.
What is the InChIKey of (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?
The InChIKey is JMRMGZYDPMOAGL-GMBSWORKSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-25-11-13(9-23-25)17-8-18-15(4-3-7-21-18)20(24-17)26-12-14-10-22-16-5-2-6-19(16)27-14/h3-4,7-9,11,14,16,19,22H,2,5-6,10,12H2,1H3/t14-,16+,19-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 365.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 176863650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).