8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)pyrazolo[3,4-c]cinnoline

C17H14FN5O — CID 73387743

IUPAC8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)pyrazolo[3,4-c]cinnoline
SMILESCOc1cc(F)cc2c1nnc1c2c(-c2ccncc2C)nn1C
InChIInChI=1S/C17H14FN5O/c1-9-8-19-5-4-11(9)16-14-12-6-10(18)7-13(24-3)15(12)20-21-17(14)23(2)22-16/h4-8H,1-3H3
InChIKeyBEHIYTQDLXFKJV-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.03
Rot. Bonds2

About 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)pyrazolo[3,4-c]cinnoline

8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)pyrazolo[3,4-c]cinnoline (PubChem CID 73387743) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)pyrazolo[3,4-c]cinnoline.

Molecular Properties

Compound Name8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)pyrazolo[3,4-c]cinnoline
PubChem CID73387743
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)pyrazolo[3,4-c]cinnoline
SMILESCOc1cc(F)cc2c1nnc1c2c(-c2ccncc2C)nn1C
InChIInChI=1S/C17H14FN5O/c1-9-8-19-5-4-11(9)16-14-12-6-10(18)7-13(24-3)15(12)20-21-17(14)23(2)22-16/h4-8H,1-3H3
InChIKeyBEHIYTQDLXFKJV-UHFFFAOYSA-N
XLogP3.03
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)pyrazolo[3,4-c]cinnoline?
The IUPAC name of 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)pyrazolo[3,4-c]cinnoline (CID 73387743) is 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)pyrazolo[3,4-c]cinnoline.
What is the SMILES notation for 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)pyrazolo[3,4-c]cinnoline?
The canonical SMILES for 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)pyrazolo[3,4-c]cinnoline is COc1cc(F)cc2c1nnc1c2c(-c2ccncc2C)nn1C.
What is the InChIKey of 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)pyrazolo[3,4-c]cinnoline?
The InChIKey is BEHIYTQDLXFKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-9-8-19-5-4-11(9)16-14-12-6-10(18)7-13(24-3)15(12)20-21-17(14)23(2)22-16/h4-8H,1-3H3.
What are the key properties of 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)pyrazolo[3,4-c]cinnoline?
8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)pyrazolo[3,4-c]cinnoline has a molecular weight of 323.33 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)pyrazolo[3,4-c]cinnoline is sourced from PubChem (CID 73387743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).