(4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone

C19H20N6O — CID 167941167

IUPAC(4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-n2ccnc2)cc1)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C19H20N6O/c26-19(15-3-5-17(6-4-15)25-13-10-20-14-25)24-11-7-16(8-12-24)22-18-2-1-9-21-23-18/h1-6,9-10,13-14,16H,7-8,11-12H2,(H,22,23)
InChIKeyCQCUBJPZMIJWDW-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.38
Rot. Bonds4

About (4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone

(4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone (PubChem CID 167941167) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
PubChem CID167941167
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-n2ccnc2)cc1)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C19H20N6O/c26-19(15-3-5-17(6-4-15)25-13-10-20-14-25)24-11-7-16(8-12-24)22-18-2-1-9-21-23-18/h1-6,9-10,13-14,16H,7-8,11-12H2,(H,22,23)
InChIKeyCQCUBJPZMIJWDW-UHFFFAOYSA-N
XLogP2.38
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-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-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]benzonitrile
CID 56778506
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
(6-methoxy-3-pyridinyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 71878647
1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
CID 69161890
1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea
CID 19778071
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 154750878
(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 120872870
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 56778514
(2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95601742
(4-imidazol-1-ylphenyl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95324252

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone (CID 167941167) is (4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone is O=C(c1ccc(-n2ccnc2)cc1)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of (4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
The InChIKey is CQCUBJPZMIJWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19(15-3-5-17(6-4-15)25-13-10-20-14-25)24-11-7-16(8-12-24)22-18-2-1-9-21-23-18/h1-6,9-10,13-14,16H,7-8,11-12H2,(H,22,23).
What are the key properties of (4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
(4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone has a molecular weight of 348.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 167941167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).