(7-chloro-8-fluoro-3-methylpyrazolo[4,5-c]cinnolin-1-yl)-(4-methylphenyl)methanone

C18H12ClFN4O — CID 71457577

IUPAC(7-chloro-8-fluoro-3-methylpyrazolo[4,5-c]cinnolin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)n2nc(C)c3nnc4cc(Cl)c(F)cc4c32)cc1
InChIInChI=1S/C18H12ClFN4O/c1-9-3-5-11(6-4-9)18(25)24-17-12-7-14(20)13(19)8-15(12)21-22-16(17)10(2)23-24/h3-8H,1-2H3
InChIKeyFTQFBTMLLBSGPV-UHFFFAOYSA-N
MW354.77 g/mol
LogP4.08
Rot. Bonds1

About (7-chloro-8-fluoro-3-methylpyrazolo[4,5-c]cinnolin-1-yl)-(4-methylphenyl)methanone

(7-chloro-8-fluoro-3-methylpyrazolo[4,5-c]cinnolin-1-yl)-(4-methylphenyl)methanone (PubChem CID 71457577) has the molecular formula C18H12ClFN4O and a molecular weight of 354.77 g/mol. Its IUPAC name is (7-chloro-8-fluoro-3-methylpyrazolo[4,5-c]cinnolin-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(7-chloro-8-fluoro-3-methylpyrazolo[4,5-c]cinnolin-1-yl)-(4-methylphenyl)methanone
PubChem CID71457577
Molecular FormulaC18H12ClFN4O
Molecular Weight354.77 g/mol
Exact Mass354.07
IUPAC Name(7-chloro-8-fluoro-3-methylpyrazolo[4,5-c]cinnolin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)n2nc(C)c3nnc4cc(Cl)c(F)cc4c32)cc1
InChIInChI=1S/C18H12ClFN4O/c1-9-3-5-11(6-4-9)18(25)24-17-12-7-14(20)13(19)8-15(12)21-22-16(17)10(2)23-24/h3-8H,1-2H3
InChIKeyFTQFBTMLLBSGPV-UHFFFAOYSA-N
XLogP4.08
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-8-fluoro-3-methylpyrazolo[4,5-c]cinnolin-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of (7-chloro-8-fluoro-3-methylpyrazolo[4,5-c]cinnolin-1-yl)-(4-methylphenyl)methanone (CID 71457577) is (7-chloro-8-fluoro-3-methylpyrazolo[4,5-c]cinnolin-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (7-chloro-8-fluoro-3-methylpyrazolo[4,5-c]cinnolin-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (7-chloro-8-fluoro-3-methylpyrazolo[4,5-c]cinnolin-1-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)n2nc(C)c3nnc4cc(Cl)c(F)cc4c32)cc1.
What is the InChIKey of (7-chloro-8-fluoro-3-methylpyrazolo[4,5-c]cinnolin-1-yl)-(4-methylphenyl)methanone?
The InChIKey is FTQFBTMLLBSGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O/c1-9-3-5-11(6-4-9)18(25)24-17-12-7-14(20)13(19)8-15(12)21-22-16(17)10(2)23-24/h3-8H,1-2H3.
What are the key properties of (7-chloro-8-fluoro-3-methylpyrazolo[4,5-c]cinnolin-1-yl)-(4-methylphenyl)methanone?
(7-chloro-8-fluoro-3-methylpyrazolo[4,5-c]cinnolin-1-yl)-(4-methylphenyl)methanone has a molecular weight of 354.77 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-8-fluoro-3-methylpyrazolo[4,5-c]cinnolin-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 71457577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).