1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide

C20H23N7O — CID 90514232

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4cccnc4)CC3)nn2)n1
InChIInChI=1S/C20H23N7O/c1-14-12-15(2)27(25-14)19-6-5-18(23-24-19)26-10-7-16(8-11-26)20(28)22-17-4-3-9-21-13-17/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,22,28)
InChIKeyLHDLIXQHEKVZCN-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.53
Rot. Bonds4

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide (PubChem CID 90514232) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide
PubChem CID90514232
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4cccnc4)CC3)nn2)n1
InChIInChI=1S/C20H23N7O/c1-14-12-15(2)27(25-14)19-6-5-18(23-24-19)26-10-7-16(8-11-26)20(28)22-17-4-3-9-21-13-17/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,22,28)
InChIKeyLHDLIXQHEKVZCN-UHFFFAOYSA-N
XLogP2.53
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514281
N-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514293
N-cyclopropyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 56764773
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(9H-fluoren-2-yl)piperidine-4-carboxamide
CID 90514340
N-(3-chloro-2-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514282
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 90514318
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 121122325
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 90514338
N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514213
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 90514251
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90514308
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514343

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide (CID 90514232) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide is Cc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4cccnc4)CC3)nn2)n1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide?
The InChIKey is LHDLIXQHEKVZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-14-12-15(2)27(25-14)19-6-5-18(23-24-19)26-10-7-16(8-11-26)20(28)22-17-4-3-9-21-13-17/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,22,28).
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide?
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 90514232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).