(4-chloro-2-fluorophenyl)-[4-(6-methylpyridazine-3-carbonyl)piperazin-1-yl]methanone

C17H16ClFN4O2 — CID 136547532

IUPAC(4-chloro-2-fluorophenyl)-[4-(6-methylpyridazine-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)nn1
InChIInChI=1S/C17H16ClFN4O2/c1-11-2-5-15(21-20-11)17(25)23-8-6-22(7-9-23)16(24)13-4-3-12(18)10-14(13)19/h2-5,10H,6-9H2,1H3
InChIKeyXALYUGQYUQJNAD-UHFFFAOYSA-N
MW362.79 g/mol
LogP2.18
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-[4-(6-methylpyridazine-3-carbonyl)piperazin-1-yl]methanone

(4-chloro-2-fluorophenyl)-[4-(6-methylpyridazine-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 136547532) has the molecular formula C17H16ClFN4O2 and a molecular weight of 362.79 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-[4-(6-methylpyridazine-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-[4-(6-methylpyridazine-3-carbonyl)piperazin-1-yl]methanone
PubChem CID136547532
Molecular FormulaC17H16ClFN4O2
Molecular Weight362.79 g/mol
Exact Mass362.09
IUPAC Name(4-chloro-2-fluorophenyl)-[4-(6-methylpyridazine-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)nn1
InChIInChI=1S/C17H16ClFN4O2/c1-11-2-5-15(21-20-11)17(25)23-8-6-22(7-9-23)16(24)13-4-3-12(18)10-14(13)19/h2-5,10H,6-9H2,1H3
InChIKeyXALYUGQYUQJNAD-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-[4-(6-methylpyridazine-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-[4-(6-methylpyridazine-3-carbonyl)piperazin-1-yl]methanone (CID 136547532) is (4-chloro-2-fluorophenyl)-[4-(6-methylpyridazine-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-[4-(6-methylpyridazine-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-[4-(6-methylpyridazine-3-carbonyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)nn1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-[4-(6-methylpyridazine-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is XALYUGQYUQJNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O2/c1-11-2-5-15(21-20-11)17(25)23-8-6-22(7-9-23)16(24)13-4-3-12(18)10-14(13)19/h2-5,10H,6-9H2,1H3.
What are the key properties of (4-chloro-2-fluorophenyl)-[4-(6-methylpyridazine-3-carbonyl)piperazin-1-yl]methanone?
(4-chloro-2-fluorophenyl)-[4-(6-methylpyridazine-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 362.79 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-[4-(6-methylpyridazine-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 136547532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).