N-[(4-cyanophenyl)methyl]-2-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-yl]acetamide

C27H21N7O — CID 138595171

IUPACN-[(4-cyanophenyl)methyl]-2-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-yl]acetamide
SMILESCc1cccc(-n2nc(CC(=O)NCc3ccc(C#N)cc3)cc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C27H21N7O/c1-18-3-2-4-26(32-18)34-25(21-9-10-23-24(13-21)30-12-11-29-23)14-22(33-34)15-27(35)31-17-20-7-5-19(16-28)6-8-20/h2-14H,15,17H2,1H3,(H,31,35)
InChIKeyMZGSJOWPGHLXRN-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.92
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-2-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-yl]acetamide

N-[(4-cyanophenyl)methyl]-2-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-yl]acetamide (PubChem CID 138595171) has the molecular formula C27H21N7O and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-yl]acetamide
PubChem CID138595171
Molecular FormulaC27H21N7O
Molecular Weight459.51 g/mol
Exact Mass459.18
IUPAC NameN-[(4-cyanophenyl)methyl]-2-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-yl]acetamide
SMILESCc1cccc(-n2nc(CC(=O)NCc3ccc(C#N)cc3)cc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C27H21N7O/c1-18-3-2-4-26(32-18)34-25(21-9-10-23-24(13-21)30-12-11-29-23)14-22(33-34)15-27(35)31-17-20-7-5-19(16-28)6-8-20/h2-14H,15,17H2,1H3,(H,31,35)
InChIKeyMZGSJOWPGHLXRN-UHFFFAOYSA-N
XLogP3.92
TPSA109.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazole-3-carboxamide
CID 138748055
2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 138595057
2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-fluorophenyl)acetamide
CID 138595141
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
N-[(4-cyanophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106481
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
N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide
CID 134035263
2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 176873283
N-[(4-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283449
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 46587432
N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78951088
N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 110473207

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-yl]acetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-yl]acetamide (CID 138595171) is N-[(4-cyanophenyl)methyl]-2-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-yl]acetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-yl]acetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-yl]acetamide is Cc1cccc(-n2nc(CC(=O)NCc3ccc(C#N)cc3)cc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-yl]acetamide?
The InChIKey is MZGSJOWPGHLXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N7O/c1-18-3-2-4-26(32-18)34-25(21-9-10-23-24(13-21)30-12-11-29-23)14-22(33-34)15-27(35)31-17-20-7-5-19(16-28)6-8-20/h2-14H,15,17H2,1H3,(H,31,35).
What are the key properties of N-[(4-cyanophenyl)methyl]-2-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-yl]acetamide?
N-[(4-cyanophenyl)methyl]-2-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-yl]acetamide has a molecular weight of 459.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-yl]acetamide is sourced from PubChem (CID 138595171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).