[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone

C19H22FN5O2 — CID 109114667

IUPAC[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(N2CCN(c3ccccc3F)CC2)nn1)N1CCOCC1
InChIInChI=1S/C19H22FN5O2/c20-15-3-1-2-4-17(15)23-7-9-24(10-8-23)18-6-5-16(21-22-18)19(26)25-11-13-27-14-12-25/h1-6H,7-14H2
InChIKeySMESDWFFQIKZON-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.41
Rot. Bonds3

About [6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone

[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone (PubChem CID 109114667) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is [6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone
PubChem CID109114667
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(N2CCN(c3ccccc3F)CC2)nn1)N1CCOCC1
InChIInChI=1S/C19H22FN5O2/c20-15-3-1-2-4-17(15)23-7-9-24(10-8-23)18-6-5-16(21-22-18)19(26)25-11-13-27-14-12-25/h1-6H,7-14H2
InChIKeySMESDWFFQIKZON-UHFFFAOYSA-N
XLogP1.41
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone
CID 109124044
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943475
[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 122335131
N-(2,6-difluorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114612
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110446
[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111932
[4-(2-fluorophenyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 110693755
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109124021
[6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109112866
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide
CID 113043749
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109116154
[4-(2-methoxyphenyl)piperazin-1-yl]-(6-piperidin-1-ylpyridazin-3-yl)methanone
CID 109112503

Frequently Asked Questions

What is the IUPAC name of [6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone (CID 109114667) is [6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone is O=C(c1ccc(N2CCN(c3ccccc3F)CC2)nn1)N1CCOCC1.
What is the InChIKey of [6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is SMESDWFFQIKZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c20-15-3-1-2-4-17(15)23-7-9-24(10-8-23)18-6-5-16(21-22-18)19(26)25-11-13-27-14-12-25/h1-6H,7-14H2.
What are the key properties of [6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone?
[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 371.42 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109114667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).