[4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone

C20H25N5O3 — CID 109124094

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone
SMILESCC1CCCN(c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)nn2)C1
InChIInChI=1S/C20H25N5O3/c1-15-4-2-8-25(14-15)18-7-6-16(21-22-18)19(26)23-9-11-24(12-10-23)20(27)17-5-3-13-28-17/h3,5-7,13,15H,2,4,8-12,14H2,1H3
InChIKeyXRAAPDFCBFVAKK-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.90
Rot. Bonds3

About [4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone (PubChem CID 109124094) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone
PubChem CID109124094
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone
SMILESCC1CCCN(c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)nn2)C1
InChIInChI=1S/C20H25N5O3/c1-15-4-2-8-25(14-15)18-7-6-16(21-22-18)19(26)23-9-11-24(12-10-23)20(27)17-5-3-13-28-17/h3,5-7,13,15H,2,4,8-12,14H2,1H3
InChIKeyXRAAPDFCBFVAKK-UHFFFAOYSA-N
XLogP1.90
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone 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

[4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone
CID 109124044
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 109353067
4-[6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-yl]piperazine-1-carbaldehyde
CID 109116815
[(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 92746923
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 121070612
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891
furan-2-yl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883392
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115022
N,N-diethyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124404
ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate
CID 129495548
N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124840

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone (CID 109124094) is [4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone is CC1CCCN(c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)nn2)C1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone?
The InChIKey is XRAAPDFCBFVAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-15-4-2-8-25(14-15)18-7-6-16(21-22-18)19(26)23-9-11-24(12-10-23)20(27)17-5-3-13-28-17/h3,5-7,13,15H,2,4,8-12,14H2,1H3.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone has a molecular weight of 383.45 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone is sourced from PubChem (CID 109124094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).