(2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

C19H22FN5O — CID 7292349

IUPAC(2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C19H22FN5O/c20-16-6-2-1-5-15(16)19(26)25-13-11-24(12-14-25)18-8-7-17(21-22-18)23-9-3-4-10-23/h1-2,5-8H,3-4,9-14H2
InChIKeyGIFZBGCQVJJRAP-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.18
Rot. Bonds3

About (2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

(2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 7292349) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID7292349
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name(2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C19H22FN5O/c20-16-6-2-1-5-15(16)19(26)25-13-11-24(12-14-25)18-8-7-17(21-22-18)23-9-3-4-10-23/h1-2,5-8H,3-4,9-14H2
InChIKeyGIFZBGCQVJJRAP-UHFFFAOYSA-N
XLogP2.18
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
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2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
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(2-chlorophenyl)-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
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(2-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 7292349) is (2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1ccccc1F)N1CCN(c2ccc(N3CCCC3)nn2)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is GIFZBGCQVJJRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c20-16-6-2-1-5-15(16)19(26)25-13-11-24(12-14-25)18-8-7-17(21-22-18)23-9-3-4-10-23/h1-2,5-8H,3-4,9-14H2.
What are the key properties of (2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 355.42 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 7292349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).