[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone

C16H21N5O2 — CID 99828297

IUPAC[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESO=C(c1cnn2c1CCCC2)N1CCCCC[C@H]1c1ncon1
InChIInChI=1S/C16H21N5O2/c22-16(12-10-18-21-9-5-3-6-13(12)21)20-8-4-1-2-7-14(20)15-17-11-23-19-15/h10-11,14H,1-9H2/t14-/m0/s1
InChIKeyFMZFEVBRHXGGOO-AWEZNQCLSA-N
MW315.38 g/mol
LogP2.36
Rot. Bonds2

About [(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone

[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 99828297) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID99828297
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESO=C(c1cnn2c1CCCC2)N1CCCCC[C@H]1c1ncon1
InChIInChI=1S/C16H21N5O2/c22-16(12-10-18-21-9-5-3-6-13(12)21)20-8-4-1-2-7-14(20)15-17-11-23-19-15/h10-11,14H,1-9H2/t14-/m0/s1
InChIKeyFMZFEVBRHXGGOO-AWEZNQCLSA-N
XLogP2.36
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-pyridin-2-ylpyrrolidin-1-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 56895640
[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 95720181
(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99828566
N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 91650313
(3,5-dimethylfuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99778689
[2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 119042821
1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 166211162
[1-(2-methylpropyl)pyrazol-4-yl]-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 86806178
(3-chlorophenyl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 124617199
[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 125142071
[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 167948922
[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99828512

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone (CID 99828297) is [(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for [(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone is O=C(c1cnn2c1CCCC2)N1CCCCC[C@H]1c1ncon1.
What is the InChIKey of [(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is FMZFEVBRHXGGOO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N5O2/c22-16(12-10-18-21-9-5-3-6-13(12)21)20-8-4-1-2-7-14(20)15-17-11-23-19-15/h10-11,14H,1-9H2/t14-/m0/s1.
What are the key properties of [(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 99828297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).