3-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)azepan-2-one

C16H17N5O — CID 155502833

IUPAC3-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)azepan-2-one
SMILESO=C1NCCCCC1n1ccnc1-c1cccc2ccnn12
InChIInChI=1S/C16H17N5O/c22-16-14(5-1-2-8-18-16)20-11-10-17-15(20)13-6-3-4-12-7-9-19-21(12)13/h3-4,6-7,9-11,14H,1-2,5,8H2,(H,18,22)
InChIKeyRJKBTOWKQDEOPC-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.04
Rot. Bonds2

About 3-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)azepan-2-one

3-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)azepan-2-one (PubChem CID 155502833) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)azepan-2-one.

Molecular Properties

Compound Name3-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)azepan-2-one
PubChem CID155502833
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name3-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)azepan-2-one
SMILESO=C1NCCCCC1n1ccnc1-c1cccc2ccnn12
InChIInChI=1S/C16H17N5O/c22-16-14(5-1-2-8-18-16)20-11-10-17-15(20)13-6-3-4-12-7-9-19-21(12)13/h3-4,6-7,9-11,14H,1-2,5,8H2,(H,18,22)
InChIKeyRJKBTOWKQDEOPC-UHFFFAOYSA-N
XLogP2.04
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)thiane 1,1-dioxide
CID 154815819
acetic acid;3-(2-cyclopentylimidazol-1-yl)azepan-2-one
CID 163340713
7-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]pyrazolo[1,5-a]pyridine
CID 154566522
7-[1-(4-pyrrolidin-1-ylbutyl)imidazol-2-yl]pyrazolo[1,5-a]pyridine
CID 155505782
3-[2-(6-methyl-3-pyridinyl)imidazol-1-yl]pyrrolidin-2-one
CID 155914038
3-methyl-5-[[(3S,4R)-4-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)oxolan-3-yl]methyl]-1,2-oxazole
CID 154822887
molecular hydrogen;2-(2-oxoazepan-3-yl)isoindole-1,3-dione
CID 153385124
acetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol
CID 155972300
2-[(3S,7S,8aS)-7-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]ethanol
CID 154816489
(2S)-2-phenyl-2-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)acetamide
CID 154816425
2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione
CID 1494048
3-(2-methylbenzimidazol-1-yl)azepan-2-one
CID 113221527

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)azepan-2-one?
The IUPAC name of 3-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)azepan-2-one (CID 155502833) is 3-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)azepan-2-one.
What is the SMILES notation for 3-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)azepan-2-one?
The canonical SMILES for 3-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)azepan-2-one is O=C1NCCCCC1n1ccnc1-c1cccc2ccnn12.
What is the InChIKey of 3-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)azepan-2-one?
The InChIKey is RJKBTOWKQDEOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c22-16-14(5-1-2-8-18-16)20-11-10-17-15(20)13-6-3-4-12-7-9-19-21(12)13/h3-4,6-7,9-11,14H,1-2,5,8H2,(H,18,22).
What are the key properties of 3-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)azepan-2-one?
3-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)azepan-2-one has a molecular weight of 295.35 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)azepan-2-one is sourced from PubChem (CID 155502833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).