4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine

C20H17ClN4O2 — CID 66576559

IUPAC4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine
SMILESCOc1ccc(-c2nnc3c(c(-c4cccc(OC)c4)nn3C)c2Cl)cc1
InChIInChI=1S/C20H17ClN4O2/c1-25-20-16(18(24-25)13-5-4-6-15(11-13)27-3)17(21)19(22-23-20)12-7-9-14(26-2)10-8-12/h4-11H,1-3H3
InChIKeyMRNLVORMJVVGIR-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.37
Rot. Bonds4

About 4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine

4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine (PubChem CID 66576559) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine
PubChem CID66576559
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine
SMILESCOc1ccc(-c2nnc3c(c(-c4cccc(OC)c4)nn3C)c2Cl)cc1
InChIInChI=1S/C20H17ClN4O2/c1-25-20-16(18(24-25)13-5-4-6-15(11-13)27-3)17(21)19(22-23-20)12-7-9-14(26-2)10-8-12/h4-11H,1-3H3
InChIKeyMRNLVORMJVVGIR-UHFFFAOYSA-N
XLogP4.37
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine?
The IUPAC name of 4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine (CID 66576559) is 4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine?
The canonical SMILES for 4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine is COc1ccc(-c2nnc3c(c(-c4cccc(OC)c4)nn3C)c2Cl)cc1.
What is the InChIKey of 4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine?
The InChIKey is MRNLVORMJVVGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-25-20-16(18(24-25)13-5-4-6-15(11-13)27-3)17(21)19(22-23-20)12-7-9-14(26-2)10-8-12/h4-11H,1-3H3.
What are the key properties of 4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine?
4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine has a molecular weight of 380.84 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 66576559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).