N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazole-3-carboxamide

C25H19ClN6O — CID 138748055

IUPACN-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)NCc3cccc(Cl)c3)cc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C25H19ClN6O/c1-16-4-2-7-24(30-16)32-23(18-8-9-20-21(13-18)28-11-10-27-20)14-22(31-32)25(33)29-15-17-5-3-6-19(26)12-17/h2-14H,15H2,1H3,(H,29,33)
InChIKeyUZJXRZKNNSRFDL-UHFFFAOYSA-N
MW454.92 g/mol
LogP4.77
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazole-3-carboxamide

N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazole-3-carboxamide (PubChem CID 138748055) has the molecular formula C25H19ClN6O and a molecular weight of 454.92 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazole-3-carboxamide
PubChem CID138748055
Molecular FormulaC25H19ClN6O
Molecular Weight454.92 g/mol
Exact Mass454.13
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)NCc3cccc(Cl)c3)cc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C25H19ClN6O/c1-16-4-2-7-24(30-16)32-23(18-8-9-20-21(13-18)28-11-10-27-20)14-22(31-32)25(33)29-15-17-5-3-6-19(26)12-17/h2-14H,15H2,1H3,(H,29,33)
InChIKeyUZJXRZKNNSRFDL-UHFFFAOYSA-N
XLogP4.77
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.92
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-cyanophenyl)methyl]-2-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-yl]acetamide
CID 138595171
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
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
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
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110373019
5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide
CID 138692451
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
2-N-[(3-chlorophenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758753
N-[(3-chlorophenyl)methyl]-2-(6-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide
CID 164874975
2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid
CID 169411976

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazole-3-carboxamide (CID 138748055) is N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazole-3-carboxamide is Cc1cccc(-n2nc(C(=O)NCc3cccc(Cl)c3)cc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazole-3-carboxamide?
The InChIKey is UZJXRZKNNSRFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN6O/c1-16-4-2-7-24(30-16)32-23(18-8-9-20-21(13-18)28-11-10-27-20)14-22(31-32)25(33)29-15-17-5-3-6-19(26)12-17/h2-14H,15H2,1H3,(H,29,33).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazole-3-carboxamide?
N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazole-3-carboxamide has a molecular weight of 454.92 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazole-3-carboxamide is sourced from PubChem (CID 138748055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).