1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide

C22H28N8O2 — CID 90520957

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide
SMILESCc1cc(C)n(-c2cc(N3CCCC(C(=O)NCCCn4ncccc4=O)C3)ncn2)n1
InChIInChI=1S/C22H28N8O2/c1-16-12-17(2)30(27-16)20-13-19(24-15-25-20)28-10-4-6-18(14-28)22(32)23-8-5-11-29-21(31)7-3-9-26-29/h3,7,9,12-13,15,18H,4-6,8,10-11,14H2,1-2H3,(H,23,32)
InChIKeyQBYSVMGZCDDQDL-UHFFFAOYSA-N
MW436.52 g/mol
LogP1.26
Rot. Bonds7

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide

1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 90520957) has the molecular formula C22H28N8O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID90520957
Molecular FormulaC22H28N8O2
Molecular Weight436.52 g/mol
Exact Mass436.23
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide
SMILESCc1cc(C)n(-c2cc(N3CCCC(C(=O)NCCCn4ncccc4=O)C3)ncn2)n1
InChIInChI=1S/C22H28N8O2/c1-16-12-17(2)30(27-16)20-13-19(24-15-25-20)28-10-4-6-18(14-28)22(32)23-8-5-11-29-21(31)7-3-9-26-29/h3,7,9,12-13,15,18H,4-6,8,10-11,14H2,1-2H3,(H,23,32)
InChIKeyQBYSVMGZCDDQDL-UHFFFAOYSA-N
XLogP1.26
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide
CID 121118653
(3R)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 95369354
(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95367750
N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168767
N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90520777
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90520908
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 90520791
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 56724685
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 90546576
(3R)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 99957145
N-(2-benzamidoethyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121169141
(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 99957148

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide (CID 90520957) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide is Cc1cc(C)n(-c2cc(N3CCCC(C(=O)NCCCn4ncccc4=O)C3)ncn2)n1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is QBYSVMGZCDDQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O2/c1-16-12-17(2)30(27-16)20-13-19(24-15-25-20)28-10-4-6-18(14-28)22(32)23-8-5-11-29-21(31)7-3-9-26-29/h3,7,9,12-13,15,18H,4-6,8,10-11,14H2,1-2H3,(H,23,32).
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide?
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 90520957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).