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

C22H26FN5O — CID 130214541

IUPAC1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carbonitrile
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CN1CCC(C#N)CC1)C2
InChIInChI=1S/C22H26FN5O/c1-16-20-8-11-27(22(29)15-26-9-6-17(12-24)7-10-26)14-21(20)28(25-16)13-18-2-4-19(23)5-3-18/h2-5,17H,6-11,13-15H2,1H3
InChIKeyPIJVDTOHWYQTCO-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.50
Rot. Bonds4

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

1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carbonitrile (PubChem CID 130214541) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carbonitrile
PubChem CID130214541
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carbonitrile
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CN1CCC(C#N)CC1)C2
InChIInChI=1S/C22H26FN5O/c1-16-20-8-11-27(22(29)15-26-9-6-17(12-24)7-10-26)14-21(20)28(25-16)13-18-2-4-19(23)5-3-18/h2-5,17H,6-11,13-15H2,1H3
InChIKeyPIJVDTOHWYQTCO-UHFFFAOYSA-N
XLogP2.50
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carbonitrile 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-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carbonitrile (CID 130214541) is 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carbonitrile is Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CN1CCC(C#N)CC1)C2.
What is the InChIKey of 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carbonitrile?
The InChIKey is PIJVDTOHWYQTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-16-20-8-11-27(22(29)15-26-9-6-17(12-24)7-10-26)14-21(20)28(25-16)13-18-2-4-19(23)5-3-18/h2-5,17H,6-11,13-15H2,1H3.
What are the key properties of 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carbonitrile?
1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carbonitrile has a molecular weight of 395.48 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carbonitrile is sourced from PubChem (CID 130214541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).