3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one

C19H21N5O3 — CID 20919653

IUPAC3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CC(=O)N2CCOCC2)c(=O)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C19H21N5O3/c1-13-17-14(2)24(15-6-4-3-5-7-15)21-18(17)19(26)23(20-13)12-16(25)22-8-10-27-11-9-22/h3-7H,8-12H2,1-2H3
InChIKeyJKZGMKGTYPSOLP-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.06
Rot. Bonds3

About 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one

3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one (PubChem CID 20919653) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one
PubChem CID20919653
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CC(=O)N2CCOCC2)c(=O)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C19H21N5O3/c1-13-17-14(2)24(15-6-4-3-5-7-15)21-18(17)19(26)23(20-13)12-16(25)22-8-10-27-11-9-22/h3-7H,8-12H2,1-2H3
InChIKeyJKZGMKGTYPSOLP-UHFFFAOYSA-N
XLogP1.06
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one with MolForge

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Related Compounds

6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
CID 20919658
6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
CID 42644421
ethyl 1-[2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetyl]piperidine-4-carboxylate
CID 53090714
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 20919610
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 92505482
(2S)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 92691402
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(4-ethoxyphenyl)acetamide
CID 20919585
4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 30607360
N-butan-2-yl-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
CID 46355251
(2-morpholin-4-yl-2-oxoethyl) 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8628593
2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid
CID 153189612
2-[3,4-dimethyl-7-oxo-2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide
CID 75465207

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one (CID 20919653) is 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one is Cc1nn(CC(=O)N2CCOCC2)c(=O)c2nn(-c3ccccc3)c(C)c12.
What is the InChIKey of 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is JKZGMKGTYPSOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-13-17-14(2)24(15-6-4-3-5-7-15)21-18(17)19(26)23(20-13)12-16(25)22-8-10-27-11-9-22/h3-7H,8-12H2,1-2H3.
What are the key properties of 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 367.41 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 20919653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).