(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C20H20FN5O — CID 154854125

IUPAC(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2nc(C3CC3)cn2n1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H20FN5O/c21-15-3-1-2-4-18(15)24-9-11-25(12-10-24)20(27)16-7-8-19-22-17(14-5-6-14)13-26(19)23-16/h1-4,7-8,13-14H,5-6,9-12H2
InChIKeyDHDVPQOYUZBMDK-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.71
Rot. Bonds3

About (2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 154854125) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is (2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID154854125
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2nc(C3CC3)cn2n1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H20FN5O/c21-15-3-1-2-4-18(15)24-9-11-25(12-10-24)20(27)16-7-8-19-22-17(14-5-6-14)13-26(19)23-16/h1-4,7-8,13-14H,5-6,9-12H2
InChIKeyDHDVPQOYUZBMDK-UHFFFAOYSA-N
XLogP2.71
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 154583892
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 146080413
2-cyclopropyl-N-[(2-fluorophenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide
CID 154854059
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone
CID 155798999
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 46079607
[4-(2-fluorophenyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 110693755
(2-amino-1,3-oxazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 110854582
[6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109112866
[5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109183120
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone
CID 109124044
[5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109274875

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 154854125) is (2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc2nc(C3CC3)cn2n1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is DHDVPQOYUZBMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-15-3-1-2-4-18(15)24-9-11-25(12-10-24)20(27)16-7-8-19-22-17(14-5-6-14)13-26(19)23-16/h1-4,7-8,13-14H,5-6,9-12H2.
What are the key properties of (2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 365.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 154854125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).