1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-ol

C20H25N5O2 — CID 56673309

IUPAC1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-ol
SMILESCCOc1ccc(-n2nc3c(N4CCC(O)CC4)nnc(C)c3c2C)cc1
InChIInChI=1S/C20H25N5O2/c1-4-27-17-7-5-15(6-8-17)25-14(3)18-13(2)21-22-20(19(18)23-25)24-11-9-16(26)10-12-24/h5-8,16,26H,4,9-12H2,1-3H3
InChIKeyUXTXHFYVRKEMAW-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.79
Rot. Bonds4

About 1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-ol

1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-ol (PubChem CID 56673309) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-ol
PubChem CID56673309
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-ol
SMILESCCOc1ccc(-n2nc3c(N4CCC(O)CC4)nnc(C)c3c2C)cc1
InChIInChI=1S/C20H25N5O2/c1-4-27-17-7-5-15(6-8-17)25-14(3)18-13(2)21-22-20(19(18)23-25)24-11-9-16(26)10-12-24/h5-8,16,26H,4,9-12H2,1-3H3
InChIKeyUXTXHFYVRKEMAW-UHFFFAOYSA-N
XLogP2.79
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-ol?
The IUPAC name of 1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-ol (CID 56673309) is 1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-ol is CCOc1ccc(-n2nc3c(N4CCC(O)CC4)nnc(C)c3c2C)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-ol?
The InChIKey is UXTXHFYVRKEMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-4-27-17-7-5-15(6-8-17)25-14(3)18-13(2)21-22-20(19(18)23-25)24-11-9-16(26)10-12-24/h5-8,16,26H,4,9-12H2,1-3H3.
What are the key properties of 1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-ol?
1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-ol has a molecular weight of 367.45 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-ol is sourced from PubChem (CID 56673309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).