2-(2-chlorophenyl)-6-(cyclopropylmethyl)-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one

C17H17ClN4O2 — CID 46887172

IUPAC2-(2-chlorophenyl)-6-(cyclopropylmethyl)-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one
SMILESCOCc1nn(CC2CC2)c(=O)c2nn(-c3ccccc3Cl)cc12
InChIInChI=1S/C17H17ClN4O2/c1-24-10-14-12-9-21(15-5-3-2-4-13(15)18)20-16(12)17(23)22(19-14)8-11-6-7-11/h2-5,9,11H,6-8,10H2,1H3
InChIKeyDWYDUZYTSFTCOP-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.79
Rot. Bonds5

About 2-(2-chlorophenyl)-6-(cyclopropylmethyl)-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one

2-(2-chlorophenyl)-6-(cyclopropylmethyl)-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one (PubChem CID 46887172) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-(cyclopropylmethyl)-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-(cyclopropylmethyl)-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one
PubChem CID46887172
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name2-(2-chlorophenyl)-6-(cyclopropylmethyl)-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one
SMILESCOCc1nn(CC2CC2)c(=O)c2nn(-c3ccccc3Cl)cc12
InChIInChI=1S/C17H17ClN4O2/c1-24-10-14-12-9-21(15-5-3-2-4-13(15)18)20-16(12)17(23)22(19-14)8-11-6-7-11/h2-5,9,11H,6-8,10H2,1H3
InChIKeyDWYDUZYTSFTCOP-UHFFFAOYSA-N
XLogP2.79
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6-(cyclopropylmethyl)-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 2-(2-chlorophenyl)-6-(cyclopropylmethyl)-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one (CID 46887172) is 2-(2-chlorophenyl)-6-(cyclopropylmethyl)-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 2-(2-chlorophenyl)-6-(cyclopropylmethyl)-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 2-(2-chlorophenyl)-6-(cyclopropylmethyl)-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one is COCc1nn(CC2CC2)c(=O)c2nn(-c3ccccc3Cl)cc12.
What is the InChIKey of 2-(2-chlorophenyl)-6-(cyclopropylmethyl)-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is DWYDUZYTSFTCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-24-10-14-12-9-21(15-5-3-2-4-13(15)18)20-16(12)17(23)22(19-14)8-11-6-7-11/h2-5,9,11H,6-8,10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-6-(cyclopropylmethyl)-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one?
2-(2-chlorophenyl)-6-(cyclopropylmethyl)-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 344.80 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6-(cyclopropylmethyl)-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 46887172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).