1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(oxan-4-yl)ethanone

C21H26FN3O2 — CID 130214390

IUPAC1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(oxan-4-yl)ethanone
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCOCC1)C2
InChIInChI=1S/C21H26FN3O2/c1-15-19-6-9-24(21(26)12-16-7-10-27-11-8-16)14-20(19)25(23-15)13-17-2-4-18(22)5-3-17/h2-5,16H,6-14H2,1H3
InChIKeyVPGGBHACUGVBLP-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.08
Rot. Bonds4

About 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(oxan-4-yl)ethanone

1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(oxan-4-yl)ethanone (PubChem CID 130214390) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(oxan-4-yl)ethanone
PubChem CID130214390
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(oxan-4-yl)ethanone
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCOCC1)C2
InChIInChI=1S/C21H26FN3O2/c1-15-19-6-9-24(21(26)12-16-7-10-27-11-8-16)14-20(19)25(23-15)13-17-2-4-18(22)5-3-17/h2-5,16H,6-14H2,1H3
InChIKeyVPGGBHACUGVBLP-UHFFFAOYSA-N
XLogP3.08
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(oxan-4-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(oxan-4-yl)ethanone (CID 130214390) is 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(oxan-4-yl)ethanone is Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCOCC1)C2.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is VPGGBHACUGVBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-15-19-6-9-24(21(26)12-16-7-10-27-11-8-16)14-20(19)25(23-15)13-17-2-4-18(22)5-3-17/h2-5,16H,6-14H2,1H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(oxan-4-yl)ethanone?
1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 371.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 130214390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).