[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone

C22H20FN5O2 — CID 166188792

IUPAC[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone
SMILESO=C(c1ccc2cncn2c1)N1CCCCCC1c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H20FN5O2/c23-17-8-5-15(6-9-17)21-25-20(26-30-21)19-4-2-1-3-11-28(19)22(29)16-7-10-18-12-24-14-27(18)13-16/h5-10,12-14,19H,1-4,11H2
InChIKeyNYCPBMYUGVADBQ-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.28
Rot. Bonds3

About [2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone

[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone (PubChem CID 166188792) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is [2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone.

Molecular Properties

Compound Name[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone
PubChem CID166188792
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone
SMILESO=C(c1ccc2cncn2c1)N1CCCCCC1c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H20FN5O2/c23-17-8-5-15(6-9-17)21-25-20(26-30-21)19-4-2-1-3-11-28(19)22(29)16-7-10-18-12-24-14-27(18)13-16/h5-10,12-14,19H,1-4,11H2
InChIKeyNYCPBMYUGVADBQ-UHFFFAOYSA-N
XLogP4.28
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 75475127
2-[2-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 120552919
imidazo[1,5-a]pyridin-6-yl-[(2S)-2-(1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 167842016
6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide
CID 97345604
3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]propan-1-one
CID 166325129
1-methyl-5-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyrrole-3-carboxamide
CID 167859394
[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 3557408
1-[4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]phenyl]ethanone
CID 97345395
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 97345408
(2-methylfuran-3-yl)-[(2R)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]methanone
CID 97346030
[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91909905
(3-methylfuran-2-yl)-[2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]methanone
CID 75475289

Frequently Asked Questions

What is the IUPAC name of [2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone?
The IUPAC name of [2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone (CID 166188792) is [2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone.
What is the SMILES notation for [2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone?
The canonical SMILES for [2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone is O=C(c1ccc2cncn2c1)N1CCCCCC1c1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of [2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone?
The InChIKey is NYCPBMYUGVADBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-17-8-5-15(6-9-17)21-25-20(26-30-21)19-4-2-1-3-11-28(19)22(29)16-7-10-18-12-24-14-27(18)13-16/h5-10,12-14,19H,1-4,11H2.
What are the key properties of [2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone?
[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone has a molecular weight of 405.43 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone is sourced from PubChem (CID 166188792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).