[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone

C18H19IN4O — CID 122279263

IUPAC[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone
SMILESO=C(c1ccccc1I)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C18H19IN4O/c19-15-4-2-1-3-14(15)18(24)23-11-9-22(10-12-23)17-8-7-16(20-21-17)13-5-6-13/h1-4,7-8,13H,5-6,9-12H2
InChIKeyVSRVDPDQUSSCPC-UHFFFAOYSA-N
MW434.28 g/mol
LogP2.92
Rot. Bonds3

About [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone

[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone (PubChem CID 122279263) has the molecular formula C18H19IN4O and a molecular weight of 434.28 g/mol. Its IUPAC name is [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone.

Molecular Properties

Compound Name[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone
PubChem CID122279263
Molecular FormulaC18H19IN4O
Molecular Weight434.28 g/mol
Exact Mass434.06
IUPAC Name[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone
SMILESO=C(c1ccccc1I)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C18H19IN4O/c19-15-4-2-1-3-14(15)18(24)23-11-9-22(10-12-23)17-8-7-16(20-21-17)13-5-6-13/h1-4,7-8,13H,5-6,9-12H2
InChIKeyVSRVDPDQUSSCPC-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
CID 122279226
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 122279259
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 122279228
4-(6-cyclopropylpyridazin-3-yl)-N-phenylpiperazine-1-carboxamide
CID 122279690
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 122279513
cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone
CID 46564727
(2-iodophenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053676
1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 122279328
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 122279371
(5-chloro-2-nitrophenyl)-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279281
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122246463

Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone?
The IUPAC name of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone (CID 122279263) is [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone.
What is the SMILES notation for [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone?
The canonical SMILES for [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone is O=C(c1ccccc1I)N1CCN(c2ccc(C3CC3)nn2)CC1.
What is the InChIKey of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone?
The InChIKey is VSRVDPDQUSSCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN4O/c19-15-4-2-1-3-14(15)18(24)23-11-9-22(10-12-23)17-8-7-16(20-21-17)13-5-6-13/h1-4,7-8,13H,5-6,9-12H2.
What are the key properties of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone?
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone has a molecular weight of 434.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone is sourced from PubChem (CID 122279263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).