(4-methyl-1-benzofuran-2-yl)-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C21H23N3O2 — CID 138023366

IUPAC(4-methyl-1-benzofuran-2-yl)-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCc1cccc2oc(C(=O)N3C4CCC3CC(c3ccnn3C)C4)cc12
InChIInChI=1S/C21H23N3O2/c1-13-4-3-5-19-17(13)12-20(26-19)21(25)24-15-6-7-16(24)11-14(10-15)18-8-9-22-23(18)2/h3-5,8-9,12,14-16H,6-7,10-11H2,1-2H3
InChIKeyRCGJJIIDRPTJSM-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.03
Rot. Bonds2

About (4-methyl-1-benzofuran-2-yl)-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

(4-methyl-1-benzofuran-2-yl)-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 138023366) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (4-methyl-1-benzofuran-2-yl)-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1-benzofuran-2-yl)-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID138023366
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(4-methyl-1-benzofuran-2-yl)-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCc1cccc2oc(C(=O)N3C4CCC3CC(c3ccnn3C)C4)cc12
InChIInChI=1S/C21H23N3O2/c1-13-4-3-5-19-17(13)12-20(26-19)21(25)24-15-6-7-16(24)11-14(10-15)18-8-9-22-23(18)2/h3-5,8-9,12,14-16H,6-7,10-11H2,1-2H3
InChIKeyRCGJJIIDRPTJSM-UHFFFAOYSA-N
XLogP4.03
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methyl-1-benzofuran-2-yl)-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone 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

(4-methyl-1-benzofuran-2-yl)-[4-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 166256816
1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186348
methyl 4-methyl-1-benzofuran-2-carboxylate
CID 165463716
7-fluoro-3-[2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 139019972
N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide
CID 138026756
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2,6-dimethylphenyl)methanone
CID 114026510
(3-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119874001
(4-methyl-1-benzofuran-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
CID 167825931
2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide
CID 166256119
3-(2-methylpyrazol-3-yl)cyclopentan-1-amine
CID 64504110
furan-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 16669260
4-(2-methylpyrazol-3-yl)piperidine-2-carboxamide
CID 106779071

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-benzofuran-2-yl)-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of (4-methyl-1-benzofuran-2-yl)-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 138023366) is (4-methyl-1-benzofuran-2-yl)-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for (4-methyl-1-benzofuran-2-yl)-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for (4-methyl-1-benzofuran-2-yl)-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is Cc1cccc2oc(C(=O)N3C4CCC3CC(c3ccnn3C)C4)cc12.
What is the InChIKey of (4-methyl-1-benzofuran-2-yl)-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is RCGJJIIDRPTJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13-4-3-5-19-17(13)12-20(26-19)21(25)24-15-6-7-16(24)11-14(10-15)18-8-9-22-23(18)2/h3-5,8-9,12,14-16H,6-7,10-11H2,1-2H3.
What are the key properties of (4-methyl-1-benzofuran-2-yl)-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
(4-methyl-1-benzofuran-2-yl)-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-benzofuran-2-yl)-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 138023366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).