N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

C22H22ClN7O — CID 90514306

IUPACN-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4cc(Cl)ccc4C#N)CC3)nn2)n1
InChIInChI=1S/C22H22ClN7O/c1-14-11-15(2)30(28-14)21-6-5-20(26-27-21)29-9-7-16(8-10-29)22(31)25-19-12-18(23)4-3-17(19)13-24/h3-6,11-12,16H,7-10H2,1-2H3,(H,25,31)
InChIKeyYNGRVXMIENYXHW-UHFFFAOYSA-N
MW435.92 g/mol
LogP3.66
Rot. Bonds4

About N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 90514306) has the molecular formula C22H22ClN7O and a molecular weight of 435.92 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID90514306
Molecular FormulaC22H22ClN7O
Molecular Weight435.92 g/mol
Exact Mass435.16
IUPAC NameN-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4cc(Cl)ccc4C#N)CC3)nn2)n1
InChIInChI=1S/C22H22ClN7O/c1-14-11-15(2)30(28-14)21-6-5-20(26-27-21)29-9-7-16(8-10-29)22(31)25-19-12-18(23)4-3-17(19)13-24/h3-6,11-12,16H,7-10H2,1-2H3,(H,25,31)
InChIKeyYNGRVXMIENYXHW-UHFFFAOYSA-N
XLogP3.66
TPSA99.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514282
N-(3-chloro-4-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514281
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 90514318
N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514213
N-(5-chloro-2-hydroxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-4-carboxamide
CID 133283594
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
N-[4-(diethylamino)-2-methylphenyl]-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514320
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-pyridin-3-ylpiperidine-4-carboxamide
CID 90514232
N-(5-chloro-2-cyanophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520351
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90514308

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 90514306) is N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is Cc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4cc(Cl)ccc4C#N)CC3)nn2)n1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is YNGRVXMIENYXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN7O/c1-14-11-15(2)30(28-14)21-6-5-20(26-27-21)29-9-7-16(8-10-29)22(31)25-19-12-18(23)4-3-17(19)13-24/h3-6,11-12,16H,7-10H2,1-2H3,(H,25,31).
What are the key properties of N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 435.92 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90514306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).