N-(4-cyanophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide

C23H16N8O — CID 138595183

IUPACN-(4-cyanophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H16N8O/c1-15-3-2-4-22(27-15)31-20(17-7-10-21-25-14-26-30(21)13-17)11-19(29-31)23(32)28-18-8-5-16(12-24)6-9-18/h2-11,13-14H,1H3,(H,28,32)
InChIKeyGWKZUPUPJPIXAJ-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.41
Rot. Bonds4

About N-(4-cyanophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide

N-(4-cyanophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide (PubChem CID 138595183) has the molecular formula C23H16N8O and a molecular weight of 420.44 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
PubChem CID138595183
Molecular FormulaC23H16N8O
Molecular Weight420.44 g/mol
Exact Mass420.14
IUPAC NameN-(4-cyanophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H16N8O/c1-15-3-2-4-22(27-15)31-20(17-7-10-21-25-14-26-30(21)13-17)11-19(29-31)23(32)28-18-8-5-16(12-24)6-9-18/h2-11,13-14H,1H3,(H,28,32)
InChIKeyGWKZUPUPJPIXAJ-UHFFFAOYSA-N
XLogP3.41
TPSA113.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(2-methoxyethoxy)phenyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
CID 138594920
N-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
CID 138595191
N-(2,3-difluorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
CID 138595117
N-(4-acetamidophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
CID 138692385
N-[(3-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
CID 138595192
N-(2-methylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
CID 138692405
5-(1,3-benzothiazol-6-yl)-N-(4-ethoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 138748014
5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-methylsulfinylphenyl)pyrazole-3-carboxamide
CID 138747832
N-(3-methoxysulfanylphenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
CID 138692382
N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-amine
CID 170074213
5-(1,3-benzothiazol-6-yl)-N-[4-(cyclopropylmethoxy)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 138692441
5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazole-3-carboxamide
CID 138748017

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide (CID 138595183) is N-(4-cyanophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide is Cc1cccc(-n2nc(C(=O)Nc3ccc(C#N)cc3)cc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of N-(4-cyanophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?
The InChIKey is GWKZUPUPJPIXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N8O/c1-15-3-2-4-22(27-15)31-20(17-7-10-21-25-14-26-30(21)13-17)11-19(29-31)23(32)28-18-8-5-16(12-24)6-9-18/h2-11,13-14H,1H3,(H,28,32).
What are the key properties of N-(4-cyanophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?
N-(4-cyanophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide has a molecular weight of 420.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 138595183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).