2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one

C22H29FN4O2 — CID 10157823

IUPAC2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(CCCN3CCNCC3)c(=O)n(CC3CC3)n2)cc1F
InChIInChI=1S/C22H29FN4O2/c1-29-21-7-6-17(13-19(21)23)20-14-18(3-2-10-26-11-8-24-9-12-26)22(28)27(25-20)15-16-4-5-16/h6-7,13-14,16,24H,2-5,8-12,15H2,1H3
InChIKeyJADJVJRMAGEXNX-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.31
Rot. Bonds8

About 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one

2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one (PubChem CID 10157823) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one
PubChem CID10157823
Molecular FormulaC22H29FN4O2
Molecular Weight400.50 g/mol
Exact Mass400.23
IUPAC Name2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(CCCN3CCNCC3)c(=O)n(CC3CC3)n2)cc1F
InChIInChI=1S/C22H29FN4O2/c1-29-21-7-6-17(13-19(21)23)20-14-18(3-2-10-26-11-8-24-9-12-26)22(28)27(25-20)15-16-4-5-16/h6-7,13-14,16,24H,2-5,8-12,15H2,1H3
InChIKeyJADJVJRMAGEXNX-UHFFFAOYSA-N
XLogP2.31
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)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-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one
CID 10111611
4-[[bis(2-hydroxyethyl)amino]methyl]-2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one
CID 10200461
2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide
CID 22452215
2-[3-(2-chlorophenyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one
CID 10074092
6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one
CID 172851738
4-[[bis(2-hydroxyethyl)amino]methyl]-6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]pyridazin-3-one
CID 10140250
4-(bromomethyl)-6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 23102902
[2-[3-(4-chlorophenyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-3-oxopyridazin-4-yl]methyl methanesulfonate
CID 22562309
2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyridazine
CID 141064904
2-[3-(4-chlorophenyl)prop-2-enyl]-6-(3-fluoro-4-methoxyphenyl)-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridazin-3-one
CID 67213400
1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine
CID 83934072
2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one;dihydrochloride
CID 22562228

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one (CID 10157823) is 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one is COc1ccc(-c2cc(CCCN3CCNCC3)c(=O)n(CC3CC3)n2)cc1F.
What is the InChIKey of 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one?
The InChIKey is JADJVJRMAGEXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2/c1-29-21-7-6-17(13-19(21)23)20-14-18(3-2-10-26-11-8-24-9-12-26)22(28)27(25-20)15-16-4-5-16/h6-7,13-14,16,24H,2-5,8-12,15H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one?
2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one has a molecular weight of 400.50 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one is sourced from PubChem (CID 10157823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).