6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one

C21H23N5O — CID 126865320

IUPAC6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C21H23N5O/c27-20-8-7-19(16-5-6-16)24-26(20)14-15-9-11-25(12-10-15)21-18-4-2-1-3-17(18)13-22-23-21/h1-4,7-8,13,15-16H,5-6,9-12,14H2
InChIKeyMNYUHBURTIQDKW-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.98
Rot. Bonds4

About 6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one

6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one (PubChem CID 126865320) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one
PubChem CID126865320
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C21H23N5O/c27-20-8-7-19(16-5-6-16)24-26(20)14-15-9-11-25(12-10-15)21-18-4-2-1-3-17(18)13-22-23-21/h1-4,7-8,13,15-16H,5-6,9-12,14H2
InChIKeyMNYUHBURTIQDKW-UHFFFAOYSA-N
XLogP2.98
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-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

2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863563
3-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944881
3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 126865517
6-cyclopropyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126865291
(1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride
CID 140971986
2-(1-phthalazin-1-ylpiperidin-4-yl)ethanamine
CID 62587804
3-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942191
3-(1-phthalazin-1-ylpiperidin-4-yl)propanoic acid
CID 62216981
6-cyclopropyl-2-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865502
6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865550
1-(4-chloropiperidin-1-yl)phthalazine
CID 63388772
6-cyclopropyl-2-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865258

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one (CID 126865320) is 6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1CC1CCN(c2nncc3ccccc23)CC1.
What is the InChIKey of 6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one?
The InChIKey is MNYUHBURTIQDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-20-8-7-19(16-5-6-16)24-26(20)14-15-9-11-25(12-10-15)21-18-4-2-1-3-17(18)13-22-23-21/h1-4,7-8,13,15-16H,5-6,9-12,14H2.
What are the key properties of 6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one?
6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one has a molecular weight of 361.45 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 126865320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).