2-(2-fluorophenyl)-3,4-dimethyl-7-propan-2-yloxypyrazolo[3,4-d]pyridazine

C16H17FN4O — CID 848995

IUPAC2-(2-fluorophenyl)-3,4-dimethyl-7-propan-2-yloxypyrazolo[3,4-d]pyridazine
SMILESCc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12
InChIInChI=1S/C16H17FN4O/c1-9(2)22-16-15-14(10(3)18-19-16)11(4)21(20-15)13-8-6-5-7-12(13)17/h5-9H,1-4H3
InChIKeyLWBCODNTIUIIAA-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.36
Rot. Bonds3

About 2-(2-fluorophenyl)-3,4-dimethyl-7-propan-2-yloxypyrazolo[3,4-d]pyridazine

2-(2-fluorophenyl)-3,4-dimethyl-7-propan-2-yloxypyrazolo[3,4-d]pyridazine (PubChem CID 848995) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3,4-dimethyl-7-propan-2-yloxypyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3,4-dimethyl-7-propan-2-yloxypyrazolo[3,4-d]pyridazine
PubChem CID848995
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name2-(2-fluorophenyl)-3,4-dimethyl-7-propan-2-yloxypyrazolo[3,4-d]pyridazine
SMILESCc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12
InChIInChI=1S/C16H17FN4O/c1-9(2)22-16-15-14(10(3)18-19-16)11(4)21(20-15)13-8-6-5-7-12(13)17/h5-9H,1-4H3
InChIKeyLWBCODNTIUIIAA-UHFFFAOYSA-N
XLogP3.36
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-(4-ethoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazine
CID 848991
7-ethoxy-2-(3-methoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazine
CID 1234295
2-(4-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl ethyl ether
CID 1234296
6-(2-Ethoxy-phenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10424606
2-(3-chlorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl ethyl ether
CID 848994
3-[(4-Fluorophenyl)methyl]-4-(4-methoxyphenoxy)-7-methyltriazolo[4,5-d]pyridazine
CID 23609043
3-[(4-Fluorophenyl)methyl]-7-methyl-4-prop-2-ynoxytriazolo[4,5-d]pyridazine
CID 23609044
6-(4-ethoxy-2-fluoro-phenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10267583
4-benzyl-7-[(4-fluorophenyl)methoxy]-2-methyl-1H-pyrrolo[2,3-d]pyridazine
CID 67835832
2-(4-Ethoxy-2-fluorophenyl)-7-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethylpyrazolo[3,4-d]pyridazine
CID 134564083
2-[4-[2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]phenyl]-N,N-dimethylethanamine
CID 134564084
2-[2-(4-Ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]-3-phenylpropanenitrile
CID 134564085

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3,4-dimethyl-7-propan-2-yloxypyrazolo[3,4-d]pyridazine?
The IUPAC name of 2-(2-fluorophenyl)-3,4-dimethyl-7-propan-2-yloxypyrazolo[3,4-d]pyridazine (CID 848995) is 2-(2-fluorophenyl)-3,4-dimethyl-7-propan-2-yloxypyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 2-(2-fluorophenyl)-3,4-dimethyl-7-propan-2-yloxypyrazolo[3,4-d]pyridazine?
The canonical SMILES for 2-(2-fluorophenyl)-3,4-dimethyl-7-propan-2-yloxypyrazolo[3,4-d]pyridazine is Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12.
What is the InChIKey of 2-(2-fluorophenyl)-3,4-dimethyl-7-propan-2-yloxypyrazolo[3,4-d]pyridazine?
The InChIKey is LWBCODNTIUIIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-9(2)22-16-15-14(10(3)18-19-16)11(4)21(20-15)13-8-6-5-7-12(13)17/h5-9H,1-4H3.
What are the key properties of 2-(2-fluorophenyl)-3,4-dimethyl-7-propan-2-yloxypyrazolo[3,4-d]pyridazine?
2-(2-fluorophenyl)-3,4-dimethyl-7-propan-2-yloxypyrazolo[3,4-d]pyridazine has a molecular weight of 300.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3,4-dimethyl-7-propan-2-yloxypyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 848995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).