6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[2-fluoro-5-(hydroxymethyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one

C24H28FN5O2 — CID 122424232

IUPAC6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[2-fluoro-5-(hydroxymethyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one
SMILESCc1n[nH]c(C)c1Cn1cc2c(CC(C)C)nn(C)c(=O)c2c1-c1cc(CO)ccc1F
InChIInChI=1S/C24H28FN5O2/c1-13(2)8-21-19-11-30(10-18-14(3)26-27-15(18)4)23(22(19)24(32)29(5)28-21)17-9-16(12-31)6-7-20(17)25/h6-7,9,11,13,31H,8,10,12H2,1-5H3,(H,26,27)
InChIKeyLETHMUFOTLCVET-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.62
Rot. Bonds6

About 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[2-fluoro-5-(hydroxymethyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one

6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[2-fluoro-5-(hydroxymethyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one (PubChem CID 122424232) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[2-fluoro-5-(hydroxymethyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[2-fluoro-5-(hydroxymethyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one
PubChem CID122424232
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[2-fluoro-5-(hydroxymethyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one
SMILESCc1n[nH]c(C)c1Cn1cc2c(CC(C)C)nn(C)c(=O)c2c1-c1cc(CO)ccc1F
InChIInChI=1S/C24H28FN5O2/c1-13(2)8-21-19-11-30(10-18-14(3)26-27-15(18)4)23(22(19)24(32)29(5)28-21)17-9-16(12-31)6-7-20(17)25/h6-7,9,11,13,31H,8,10,12H2,1-5H3,(H,26,27)
InChIKeyLETHMUFOTLCVET-UHFFFAOYSA-N
XLogP3.62
TPSA88.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[2-fluoro-5-(hydroxymethyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10329303, Example 45
CID 122424216
US10329303, Example 28
CID 122424229
US10329303, Example 35
CID 122424259
US10329303, Example 27
CID 122424339
US10329303, Example 29
CID 122424410
US10329303, Example 41
CID 122432427
US10329303, Example 43
CID 122424215
4-[[(2S,5R)-5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidin-2-yl]methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 117995078
4-[[(2S,5R)-5-[(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidin-2-yl]methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 117995081
4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]benzamide
CID 117995098
4-[[(2S,5R)-5-[hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]benzamide
CID 117995101
4-[[(2S,5R)-5-[(R)-(6-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidin-2-yl]methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 118003494

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[2-fluoro-5-(hydroxymethyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one?
The IUPAC name of 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[2-fluoro-5-(hydroxymethyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one (CID 122424232) is 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[2-fluoro-5-(hydroxymethyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[2-fluoro-5-(hydroxymethyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[2-fluoro-5-(hydroxymethyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one is Cc1n[nH]c(C)c1Cn1cc2c(CC(C)C)nn(C)c(=O)c2c1-c1cc(CO)ccc1F.
What is the InChIKey of 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[2-fluoro-5-(hydroxymethyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one?
The InChIKey is LETHMUFOTLCVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-13(2)8-21-19-11-30(10-18-14(3)26-27-15(18)4)23(22(19)24(32)29(5)28-21)17-9-16(12-31)6-7-20(17)25/h6-7,9,11,13,31H,8,10,12H2,1-5H3,(H,26,27).
What are the key properties of 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[2-fluoro-5-(hydroxymethyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one?
6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[2-fluoro-5-(hydroxymethyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one has a molecular weight of 437.52 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[2-fluoro-5-(hydroxymethyl)phenyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 122424232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).