[3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone

C18H21N3O2 — CID 154823366

IUPAC[3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone
SMILESCc1cccc(OC2CN(C(=O)C3CCn4nccc4C3)C2)c1
InChIInChI=1S/C18H21N3O2/c1-13-3-2-4-16(9-13)23-17-11-20(12-17)18(22)14-6-8-21-15(10-14)5-7-19-21/h2-5,7,9,14,17H,6,8,10-12H2,1H3
InChIKeyGCFMMNHGPPTUKT-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.04
Rot. Bonds3

About [3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone

[3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone (PubChem CID 154823366) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is [3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone
PubChem CID154823366
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name[3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone
SMILESCc1cccc(OC2CN(C(=O)C3CCn4nccc4C3)C2)c1
InChIInChI=1S/C18H21N3O2/c1-13-3-2-4-16(9-13)23-17-11-20(12-17)18(22)14-6-8-21-15(10-14)5-7-19-21/h2-5,7,9,14,17H,6,8,10-12H2,1H3
InChIKeyGCFMMNHGPPTUKT-UHFFFAOYSA-N
XLogP2.04
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone with MolForge

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Related Compounds

[3-(3-methylphenoxy)azetidin-1-yl]-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]methanone
CID 125178800
(3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide
CID 97113057
1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 97202927
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone
CID 155495818
[3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72893956
[3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 70723973
3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide
CID 125446145
[4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 70721483
[3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone
CID 70772785
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(3-methylphenoxy)azetidin-1-yl]methanone
CID 70770628
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone?
The IUPAC name of [3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone (CID 154823366) is [3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone.
What is the SMILES notation for [3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone?
The canonical SMILES for [3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone is Cc1cccc(OC2CN(C(=O)C3CCn4nccc4C3)C2)c1.
What is the InChIKey of [3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone?
The InChIKey is GCFMMNHGPPTUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-3-2-4-16(9-13)23-17-11-20(12-17)18(22)14-6-8-21-15(10-14)5-7-19-21/h2-5,7,9,14,17H,6,8,10-12H2,1H3.
What are the key properties of [3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone?
[3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone has a molecular weight of 311.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone is sourced from PubChem (CID 154823366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).