6-pyrazol-1-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyridine-3-carboxamide

C21H19N7O — CID 55522312

IUPAC6-pyrazol-1-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C21H19N7O/c29-21(15-8-9-18(22-14-15)28-13-5-10-23-28)26-19-20(27-11-3-4-12-27)25-17-7-2-1-6-16(17)24-19/h1-2,5-10,13-14H,3-4,11-12H2,(H,24,26,29)
InChIKeyMAGYJCWNLZLGIJ-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.06
Rot. Bonds4

About 6-pyrazol-1-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyridine-3-carboxamide

6-pyrazol-1-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyridine-3-carboxamide (PubChem CID 55522312) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is 6-pyrazol-1-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-pyrazol-1-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyridine-3-carboxamide
PubChem CID55522312
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name6-pyrazol-1-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C21H19N7O/c29-21(15-8-9-18(22-14-15)28-13-5-10-23-28)26-19-20(27-11-3-4-12-27)25-17-7-2-1-6-16(17)24-19/h1-2,5-10,13-14H,3-4,11-12H2,(H,24,26,29)
InChIKeyMAGYJCWNLZLGIJ-UHFFFAOYSA-N
XLogP3.06
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 46683878
6-pyrazol-1-yl-N-quinolin-5-ylpyridine-3-carboxamide
CID 16654250
4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 46683851
N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3758867
N-cyclohexyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 16654230
3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 55758386
3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide
CID 30709253
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide
CID 51317617
3-(2,2-dimethylpropanoylamino)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 35780569
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 55623134
N-(3-fluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 16654238
N-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3567091

Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-pyrazol-1-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyridine-3-carboxamide (CID 55522312) is 6-pyrazol-1-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-pyrazol-1-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-pyrazol-1-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyridine-3-carboxamide is O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccc(-n2cccn2)nc1.
What is the InChIKey of 6-pyrazol-1-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyridine-3-carboxamide?
The InChIKey is MAGYJCWNLZLGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c29-21(15-8-9-18(22-14-15)28-13-5-10-23-28)26-19-20(27-11-3-4-12-27)25-17-7-2-1-6-16(17)24-19/h1-2,5-10,13-14H,3-4,11-12H2,(H,24,26,29).
What are the key properties of 6-pyrazol-1-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyridine-3-carboxamide?
6-pyrazol-1-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyridine-3-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 55522312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).