[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

C23H27N7O — CID 90514724

IUPAC[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CCCN(c2ccc(-n3ccnc3)nn2)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N7O/c31-23(28-15-13-27(14-16-28)20-6-2-1-3-7-20)19-5-4-11-29(17-19)21-8-9-22(26-25-21)30-12-10-24-18-30/h1-3,6-10,12,18-19H,4-5,11,13-17H2
InChIKeyAFPXJLRDOGDCKJ-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.23
Rot. Bonds4

About [1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 90514724) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is [1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID90514724
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CCCN(c2ccc(-n3ccnc3)nn2)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N7O/c31-23(28-15-13-27(14-16-28)20-6-2-1-3-7-20)19-5-4-11-29(17-19)21-8-9-22(26-25-21)30-12-10-24-18-30/h1-3,6-10,12,18-19H,4-5,11,13-17H2
InChIKeyAFPXJLRDOGDCKJ-UHFFFAOYSA-N
XLogP2.23
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 90514850
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 52993038
N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514780
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 52993023
[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 90520235
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 90514878
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90601157
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121070942
N-(4-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514741
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 96557517
[(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 96557518
(3S)-N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907697

Frequently Asked Questions

What is the IUPAC name of [1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 90514724) is [1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(C1CCCN(c2ccc(-n3ccnc3)nn2)C1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is AFPXJLRDOGDCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c31-23(28-15-13-27(14-16-28)20-6-2-1-3-7-20)19-5-4-11-29(17-19)21-8-9-22(26-25-21)30-12-10-24-18-30/h1-3,6-10,12,18-19H,4-5,11,13-17H2.
What are the key properties of [1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 417.52 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 90514724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).