2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

C24H23N3O3 — CID 58551288

IUPAC2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
SMILESCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccc3c2OCC3)CC1
InChIInChI=1S/C24H23N3O3/c1-26-21-17-6-2-3-8-20(17)30-24(19(21)15-25-26)10-12-27(13-11-24)23(28)18-7-4-5-16-9-14-29-22(16)18/h2-8,15H,9-14H2,1H3
InChIKeyNPIVVLHGGCEHSB-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.55
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (PubChem CID 58551288) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
PubChem CID58551288
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
SMILESCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccc3c2OCC3)CC1
InChIInChI=1S/C24H23N3O3/c1-26-21-17-6-2-3-8-20(17)30-24(19(21)15-25-26)10-12-27(13-11-24)23(28)18-7-4-5-16-9-14-29-22(16)18/h2-8,15H,9-14H2,1H3
InChIKeyNPIVVLHGGCEHSB-UHFFFAOYSA-N
XLogP3.55
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-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

(3-fluoro-2-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551510
(2,2-dimethyl-3H-1-benzofuran-4-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551437
(2-ethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551700
(3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58550848
(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 58551193
(2,4-dimethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551037
(4-fluoro-2-methoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551550
(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 58551678
(3,4-diethoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551279
1-(1-methylindol-3-yl)-2-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)ethane-1,2-dione
CID 58551202
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 140621760
(5-fluoro-1-benzofuran-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551738

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (CID 58551288) is 2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2cccc3c2OCC3)CC1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is NPIVVLHGGCEHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-26-21-17-6-2-3-8-20(17)30-24(19(21)15-25-26)10-12-27(13-11-24)23(28)18-7-4-5-16-9-14-29-22(16)18/h2-8,15H,9-14H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?
2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 401.47 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 58551288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).