4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide

C23H19N7O — CID 167795718

IUPAC4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCc1ccccn1)c1cc(-n2cccn2)ccn1
InChIInChI=1S/C23H19N7O/c31-22(20-16-18(9-13-25-20)30-14-5-12-26-30)28-23-27-19-7-1-2-8-21(19)29(23)15-10-17-6-3-4-11-24-17/h1-9,11-14,16H,10,15H2,(H,27,28,31)
InChIKeyWOLCXUJZJPPDBX-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.51
Rot. Bonds6

About 4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide

4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide (PubChem CID 167795718) has the molecular formula C23H19N7O and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
PubChem CID167795718
Molecular FormulaC23H19N7O
Molecular Weight409.45 g/mol
Exact Mass409.17
IUPAC Name4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCc1ccccn1)c1cc(-n2cccn2)ccn1
InChIInChI=1S/C23H19N7O/c31-22(20-16-18(9-13-25-20)30-14-5-12-26-30)28-23-27-19-7-1-2-8-21(19)29(23)15-10-17-6-3-4-11-24-17/h1-9,11-14,16H,10,15H2,(H,27,28,31)
InChIKeyWOLCXUJZJPPDBX-UHFFFAOYSA-N
XLogP3.51
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide (CID 167795718) is 4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide is O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1cc(-n2cccn2)ccn1.
What is the InChIKey of 4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide?
The InChIKey is WOLCXUJZJPPDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O/c31-22(20-16-18(9-13-25-20)30-14-5-12-26-30)28-23-27-19-7-1-2-8-21(19)29(23)15-10-17-6-3-4-11-24-17/h1-9,11-14,16H,10,15H2,(H,27,28,31).
What are the key properties of 4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide?
4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167795718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).