2-[4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile

C19H13FN6O — CID 126642381

IUPAC2-[4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile
SMILESN#Cc1cccc(F)c1-c1cc(-n2cc3c(n2)CNC3)c2c(n1)CNC2=O
InChIInChI=1S/C19H13FN6O/c20-12-3-1-2-10(5-21)17(12)13-4-16(18-15(24-13)8-23-19(18)27)26-9-11-6-22-7-14(11)25-26/h1-4,9,22H,6-8H2,(H,23,27)
InChIKeyCEXZOPNNLXBPRG-UHFFFAOYSA-N
MW360.35 g/mol
LogP1.79
Rot. Bonds2

About 2-[4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile

2-[4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile (PubChem CID 126642381) has the molecular formula C19H13FN6O and a molecular weight of 360.35 g/mol. Its IUPAC name is 2-[4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name2-[4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile
PubChem CID126642381
Molecular FormulaC19H13FN6O
Molecular Weight360.35 g/mol
Exact Mass360.11
IUPAC Name2-[4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile
SMILESN#Cc1cccc(F)c1-c1cc(-n2cc3c(n2)CNC3)c2c(n1)CNC2=O
InChIInChI=1S/C19H13FN6O/c20-12-3-1-2-10(5-21)17(12)13-4-16(18-15(24-13)8-23-19(18)27)26-9-11-6-22-7-14(11)25-26/h1-4,9,22H,6-8H2,(H,23,27)
InChIKeyCEXZOPNNLXBPRG-UHFFFAOYSA-N
XLogP1.79
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile 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 2-[4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile?
The IUPAC name of 2-[4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile (CID 126642381) is 2-[4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile.
What is the SMILES notation for 2-[4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile?
The canonical SMILES for 2-[4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile is N#Cc1cccc(F)c1-c1cc(-n2cc3c(n2)CNC3)c2c(n1)CNC2=O.
What is the InChIKey of 2-[4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile?
The InChIKey is CEXZOPNNLXBPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN6O/c20-12-3-1-2-10(5-21)17(12)13-4-16(18-15(24-13)8-23-19(18)27)26-9-11-6-22-7-14(11)25-26/h1-4,9,22H,6-8H2,(H,23,27).
What are the key properties of 2-[4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile?
2-[4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile has a molecular weight of 360.35 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile is sourced from PubChem (CID 126642381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).