1-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-3-yl]-2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)ethanone

C21H25N3O2 — CID 58357407

IUPAC1-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-3-yl]-2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)ethanone
SMILESCN1CC2CC1CC2CC(=O)c1n[nH]c2cc(C3=CCOCC3)ccc12
InChIInChI=1S/C21H25N3O2/c1-24-12-16-9-17(24)8-15(16)11-20(25)21-18-3-2-14(10-19(18)22-23-21)13-4-6-26-7-5-13/h2-4,10,15-17H,5-9,11-12H2,1H3,(H,22,23)
InChIKeyOIVIGMZXETUKNO-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.28
Rot. Bonds4

About 1-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-3-yl]-2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)ethanone

1-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-3-yl]-2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)ethanone (PubChem CID 58357407) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-3-yl]-2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)ethanone.

Molecular Properties

Compound Name1-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-3-yl]-2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)ethanone
PubChem CID58357407
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-3-yl]-2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)ethanone
SMILESCN1CC2CC1CC2CC(=O)c1n[nH]c2cc(C3=CCOCC3)ccc12
InChIInChI=1S/C21H25N3O2/c1-24-12-16-9-17(24)8-15(16)11-20(25)21-18-3-2-14(10-19(18)22-23-21)13-4-6-26-7-5-13/h2-4,10,15-17H,5-9,11-12H2,1H3,(H,22,23)
InChIKeyOIVIGMZXETUKNO-UHFFFAOYSA-N
XLogP3.28
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-3-yl]-2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)ethanone 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

2-[(1R,4R,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-1-[5-(trifluoromethoxy)-1H-indazol-3-yl]ethanone
CID 58357355
formic acid;2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1-[5-(trifluoromethoxy)-1H-indazol-3-yl]ethanone
CID 157099026
formic acid;N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
CID 161043962
[(3S)-4-amino-1-azabicyclo[2.2.2]octan-3-yl] 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indazole-3-carboxylate
CID 70924498
6-(difluoromethoxy)-N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-3-carboxamide;formic acid
CID 158461276
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(6-phenyl-1H-indazol-3-yl)ethanone;formic acid
CID 123390295
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-(6-phenyl-1H-indazol-3-yl)ethanone;formic acid
CID 123277563
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-(6-thiophen-3-yl-1H-indazol-3-yl)ethanone
CID 58416546
formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
CID 69489387
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-(6-fluoro-1H-indazol-3-yl)ethanone
CID 58578032
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(6-thiophen-2-yl-1H-indazol-3-yl)ethanone;formic acid
CID 123838269
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(5-phenyl-1H-indazol-3-yl)ethanone
CID 58416573

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-3-yl]-2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)ethanone?
The IUPAC name of 1-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-3-yl]-2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)ethanone (CID 58357407) is 1-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-3-yl]-2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)ethanone.
What is the SMILES notation for 1-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-3-yl]-2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)ethanone?
The canonical SMILES for 1-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-3-yl]-2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)ethanone is CN1CC2CC1CC2CC(=O)c1n[nH]c2cc(C3=CCOCC3)ccc12.
What is the InChIKey of 1-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-3-yl]-2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)ethanone?
The InChIKey is OIVIGMZXETUKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-24-12-16-9-17(24)8-15(16)11-20(25)21-18-3-2-14(10-19(18)22-23-21)13-4-6-26-7-5-13/h2-4,10,15-17H,5-9,11-12H2,1H3,(H,22,23).
What are the key properties of 1-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-3-yl]-2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)ethanone?
1-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-3-yl]-2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)ethanone has a molecular weight of 351.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-3-yl]-2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)ethanone is sourced from PubChem (CID 58357407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).