4-(1-fluorocyclobutyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile

C25H22F2N4O2 — CID 118479027

IUPAC4-(1-fluorocyclobutyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile
SMILESCOc1c(C#N)ccc(C2(F)CCC2)c1C(=O)N1CCc2nn(-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C25H22F2N4O2/c1-33-23-16(13-28)3-8-20(25(27)10-2-11-25)22(23)24(32)30-12-9-21-17(14-30)15-31(29-21)19-6-4-18(26)5-7-19/h3-8,15H,2,9-12,14H2,1H3
InChIKeyWTWPLUZRJAAYMB-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.44
Rot. Bonds4

About 4-(1-fluorocyclobutyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile

4-(1-fluorocyclobutyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile (PubChem CID 118479027) has the molecular formula C25H22F2N4O2 and a molecular weight of 448.47 g/mol. Its IUPAC name is 4-(1-fluorocyclobutyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-(1-fluorocyclobutyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile
PubChem CID118479027
Molecular FormulaC25H22F2N4O2
Molecular Weight448.47 g/mol
Exact Mass448.17
IUPAC Name4-(1-fluorocyclobutyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile
SMILESCOc1c(C#N)ccc(C2(F)CCC2)c1C(=O)N1CCc2nn(-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C25H22F2N4O2/c1-33-23-16(13-28)3-8-20(25(27)10-2-11-25)22(23)24(32)30-12-9-21-17(14-30)15-31(29-21)19-6-4-18(26)5-7-19/h3-8,15H,2,9-12,14H2,1H3
InChIKeyWTWPLUZRJAAYMB-UHFFFAOYSA-N
XLogP4.44
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1-fluorocyclobutyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile 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 4-(1-fluorocyclobutyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile?
The IUPAC name of 4-(1-fluorocyclobutyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile (CID 118479027) is 4-(1-fluorocyclobutyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile.
What is the SMILES notation for 4-(1-fluorocyclobutyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile?
The canonical SMILES for 4-(1-fluorocyclobutyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile is COc1c(C#N)ccc(C2(F)CCC2)c1C(=O)N1CCc2nn(-c3ccc(F)cc3)cc2C1.
What is the InChIKey of 4-(1-fluorocyclobutyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile?
The InChIKey is WTWPLUZRJAAYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c1-33-23-16(13-28)3-8-20(25(27)10-2-11-25)22(23)24(32)30-12-9-21-17(14-30)15-31(29-21)19-6-4-18(26)5-7-19/h3-8,15H,2,9-12,14H2,1H3.
What are the key properties of 4-(1-fluorocyclobutyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile?
4-(1-fluorocyclobutyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile has a molecular weight of 448.47 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluorocyclobutyl)-3-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2-methoxybenzonitrile is sourced from PubChem (CID 118479027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).