1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide

C23H22N8O — CID 121104107

IUPAC1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ncccn1)C1CCCN(c2ccc(-n3ccnc3-c3ccccc3)nn2)C1
InChIInChI=1S/C23H22N8O/c32-22(27-23-25-11-5-12-26-23)18-8-4-14-30(16-18)19-9-10-20(29-28-19)31-15-13-24-21(31)17-6-2-1-3-7-17/h1-3,5-7,9-13,15,18H,4,8,14,16H2,(H,25,26,27,32)
InChIKeyAPCUDBOUXCTCES-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.97
Rot. Bonds5

About 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide

1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 121104107) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID121104107
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ncccn1)C1CCCN(c2ccc(-n3ccnc3-c3ccccc3)nn2)C1
InChIInChI=1S/C23H22N8O/c32-22(27-23-25-11-5-12-26-23)18-8-4-14-30(16-18)19-9-10-20(29-28-19)31-15-13-24-21(31)17-6-2-1-3-7-17/h1-3,5-7,9-13,15,18H,4,8,14,16H2,(H,25,26,27,32)
InChIKeyAPCUDBOUXCTCES-UHFFFAOYSA-N
XLogP2.97
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,5-dimethylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104023
N-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103999
N-(6-methyl-2-pyridinyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104008
N-(4-nitrophenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103992
N-(3-methyl-1,2-thiazol-5-yl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104136
N-(2-phenylethyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104048
1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 121104134
N-(2-cyano-4-nitrophenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104094
N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104051
1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 121104135
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide
CID 90514681
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121103839

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide (CID 121104107) is 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(Nc1ncccn1)C1CCCN(c2ccc(-n3ccnc3-c3ccccc3)nn2)C1.
What is the InChIKey of 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is APCUDBOUXCTCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c32-22(27-23-25-11-5-12-26-23)18-8-4-14-30(16-18)19-9-10-20(29-28-19)31-15-13-24-21(31)17-6-2-1-3-7-17/h1-3,5-7,9-13,15,18H,4,8,14,16H2,(H,25,26,27,32).
What are the key properties of 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide?
1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 121104107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).