1-[2-(pyrazolo[1,5-a]pyridin-5-ylmethylamino)benzimidazol-1-yl]butan-1-one

C19H19N5O — CID 166172552

IUPAC1-[2-(pyrazolo[1,5-a]pyridin-5-ylmethylamino)benzimidazol-1-yl]butan-1-one
SMILESCCCC(=O)n1c(NCc2ccn3nccc3c2)nc2ccccc21
InChIInChI=1S/C19H19N5O/c1-2-5-18(25)24-17-7-4-3-6-16(17)22-19(24)20-13-14-9-11-23-15(12-14)8-10-21-23/h3-4,6-12H,2,5,13H2,1H3,(H,20,22)
InChIKeyAZSFGVSOWAQBHW-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.74
Rot. Bonds5

About 1-[2-(pyrazolo[1,5-a]pyridin-5-ylmethylamino)benzimidazol-1-yl]butan-1-one

1-[2-(pyrazolo[1,5-a]pyridin-5-ylmethylamino)benzimidazol-1-yl]butan-1-one (PubChem CID 166172552) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[2-(pyrazolo[1,5-a]pyridin-5-ylmethylamino)benzimidazol-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-(pyrazolo[1,5-a]pyridin-5-ylmethylamino)benzimidazol-1-yl]butan-1-one
PubChem CID166172552
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name1-[2-(pyrazolo[1,5-a]pyridin-5-ylmethylamino)benzimidazol-1-yl]butan-1-one
SMILESCCCC(=O)n1c(NCc2ccn3nccc3c2)nc2ccccc21
InChIInChI=1S/C19H19N5O/c1-2-5-18(25)24-17-7-4-3-6-16(17)22-19(24)20-13-14-9-11-23-15(12-14)8-10-21-23/h3-4,6-12H,2,5,13H2,1H3,(H,20,22)
InChIKeyAZSFGVSOWAQBHW-UHFFFAOYSA-N
XLogP3.74
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]benzimidazol-1-yl]butan-1-one
CID 166172615
N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide
CID 4884614
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 937788
N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine
CID 166172551
2-[[(1-hexylbenzimidazol-2-yl)amino]methyl]phenol
CID 3442786
3-[[2-(1-methylbenzimidazol-2-yl)propan-2-ylamino]methyl]benzoic acid
CID 122032985
ethyl 4-oxo-4-(pyrazolo[1,5-a]pyridin-5-ylamino)butanoate
CID 86266819
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide
CID 16970596
ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate
CID 82359735
N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 2967680
1-pyrazolo[1,5-a]pyridin-5-ylpropane-2-thiol
CID 139409644

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyrazolo[1,5-a]pyridin-5-ylmethylamino)benzimidazol-1-yl]butan-1-one?
The IUPAC name of 1-[2-(pyrazolo[1,5-a]pyridin-5-ylmethylamino)benzimidazol-1-yl]butan-1-one (CID 166172552) is 1-[2-(pyrazolo[1,5-a]pyridin-5-ylmethylamino)benzimidazol-1-yl]butan-1-one.
What is the SMILES notation for 1-[2-(pyrazolo[1,5-a]pyridin-5-ylmethylamino)benzimidazol-1-yl]butan-1-one?
The canonical SMILES for 1-[2-(pyrazolo[1,5-a]pyridin-5-ylmethylamino)benzimidazol-1-yl]butan-1-one is CCCC(=O)n1c(NCc2ccn3nccc3c2)nc2ccccc21.
What is the InChIKey of 1-[2-(pyrazolo[1,5-a]pyridin-5-ylmethylamino)benzimidazol-1-yl]butan-1-one?
The InChIKey is AZSFGVSOWAQBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-2-5-18(25)24-17-7-4-3-6-16(17)22-19(24)20-13-14-9-11-23-15(12-14)8-10-21-23/h3-4,6-12H,2,5,13H2,1H3,(H,20,22).
What are the key properties of 1-[2-(pyrazolo[1,5-a]pyridin-5-ylmethylamino)benzimidazol-1-yl]butan-1-one?
1-[2-(pyrazolo[1,5-a]pyridin-5-ylmethylamino)benzimidazol-1-yl]butan-1-one has a molecular weight of 333.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyrazolo[1,5-a]pyridin-5-ylmethylamino)benzimidazol-1-yl]butan-1-one is sourced from PubChem (CID 166172552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).