(2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

C17H16ClN7O — CID 90539357

IUPAC(2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccnc1Cl)N1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C17H16ClN7O/c18-16-13(2-1-5-20-16)17(26)24-10-8-23(9-11-24)14-3-4-15(22-21-14)25-7-6-19-12-25/h1-7,12H,8-11H2
InChIKeyBKBQQXPQITVQSI-UHFFFAOYSA-N
MW369.82 g/mol
LogP1.67
Rot. Bonds3

About (2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

(2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 90539357) has the molecular formula C17H16ClN7O and a molecular weight of 369.82 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID90539357
Molecular FormulaC17H16ClN7O
Molecular Weight369.82 g/mol
Exact Mass369.11
IUPAC Name(2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccnc1Cl)N1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C17H16ClN7O/c18-16-13(2-1-5-20-16)17(26)24-10-8-23(9-11-24)14-3-4-15(22-21-14)25-7-6-19-12-25/h1-7,12H,8-11H2
InChIKeyBKBQQXPQITVQSI-UHFFFAOYSA-N
XLogP1.67
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(1H-indol-3-yl)methanone
CID 90539554
(3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 90539451
(2-methoxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341656
(4-chloro-3-nitrophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 90539530
[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 90539491
[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 90539348
[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 70702690
6,8-dibromo-3-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one
CID 90539577
(2-chlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 71791222
(2-chloro-3-pyridinyl)-(1,3-thiazolidin-3-yl)methanone
CID 150421157
3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 90539579
(E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
CID 71791218

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 90539357) is (2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1cccnc1Cl)N1CCN(c2ccc(-n3ccnc3)nn2)CC1.
What is the InChIKey of (2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is BKBQQXPQITVQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN7O/c18-16-13(2-1-5-20-16)17(26)24-10-8-23(9-11-24)14-3-4-15(22-21-14)25-7-6-19-12-25/h1-7,12H,8-11H2.
What are the key properties of (2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 369.82 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 90539357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).