4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one

C20H21N5O3 — CID 30607360

IUPAC4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one
SMILESO=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)N1CCOCC1
InChIInChI=1S/C20H21N5O3/c26-17(23-8-10-28-11-9-23)13-24-20(27)19-16(18(22-24)14-6-7-14)12-21-25(19)15-4-2-1-3-5-15/h1-5,12,14H,6-11,13H2
InChIKeyNZRJVOBJCVFPRS-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.32
Rot. Bonds4

About 4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one

4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one (PubChem CID 30607360) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one
PubChem CID30607360
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one
SMILESO=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)N1CCOCC1
InChIInChI=1S/C20H21N5O3/c26-17(23-8-10-28-11-9-23)13-24-20(27)19-16(18(22-24)14-6-7-14)12-21-25(19)15-4-2-1-3-5-15/h1-5,12,14H,6-11,13H2
InChIKeyNZRJVOBJCVFPRS-UHFFFAOYSA-N
XLogP1.32
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 30607368
4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 30607364
benzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate
CID 30607424
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 30607406
2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide
CID 30607501
2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-cyclohexylacetamide
CID 30607470
6-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 122160609
3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one
CID 20919653
6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846383
2-(2-morpholin-4-yl-2-oxoethyl)-4-phenyl-5-piperidin-4-yl-1,2,4-triazol-3-one
CID 56723253
2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide
CID 30607744
2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid
CID 153189612

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one (CID 30607360) is 4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one is O=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)N1CCOCC1.
What is the InChIKey of 4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is NZRJVOBJCVFPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-17(23-8-10-28-11-9-23)13-24-20(27)19-16(18(22-24)14-6-7-14)12-21-25(19)15-4-2-1-3-5-15/h1-5,12,14H,6-11,13H2.
What are the key properties of 4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one?
4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 379.42 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 30607360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).