N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C21H17N7O — CID 167991259

IUPACN-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCc1ccccn1)c1ccn2nccc2n1
InChIInChI=1S/C21H17N7O/c29-20(17-10-14-28-19(24-17)8-12-23-28)26-21-25-16-6-1-2-7-18(16)27(21)13-9-15-5-3-4-11-22-15/h1-8,10-12,14H,9,13H2,(H,25,26,29)
InChIKeyNHUKVTVLLUPTOY-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.97
Rot. Bonds5

About N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 167991259) has the molecular formula C21H17N7O and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID167991259
Molecular FormulaC21H17N7O
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC NameN-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCc1ccccn1)c1ccn2nccc2n1
InChIInChI=1S/C21H17N7O/c29-20(17-10-14-28-19(24-17)8-12-23-28)26-21-25-16-6-1-2-7-18(16)27(21)13-9-15-5-3-4-11-22-15/h1-8,10-12,14H,9,13H2,(H,25,26,29)
InChIKeyNHUKVTVLLUPTOY-UHFFFAOYSA-N
XLogP2.97
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 167991259) is N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1ccn2nccc2n1.
What is the InChIKey of N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is NHUKVTVLLUPTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O/c29-20(17-10-14-28-19(24-17)8-12-23-28)26-21-25-16-6-1-2-7-18(16)27(21)13-9-15-5-3-4-11-22-15/h1-8,10-12,14H,9,13H2,(H,25,26,29).
What are the key properties of N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 167991259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).