[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone

C24H21F2N7O2 — CID 59471799

IUPAC[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone
SMILESNc1ncc(-c2cc(F)c(C(=O)N3CCCNCC3)c(F)c2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H21F2N7O2/c25-16-11-15(12-17(26)19(16)24(34)33-9-4-7-28-8-10-33)18-13-29-21(27)20(30-18)23-32-31-22(35-23)14-5-2-1-3-6-14/h1-3,5-6,11-13,28H,4,7-10H2,(H2,27,29)
InChIKeyDEAWDAXNBWDECL-UHFFFAOYSA-N
MW477.48 g/mol
LogP3.16
Rot. Bonds4

About [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone

[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone (PubChem CID 59471799) has the molecular formula C24H21F2N7O2 and a molecular weight of 477.48 g/mol. Its IUPAC name is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone
PubChem CID59471799
Molecular FormulaC24H21F2N7O2
Molecular Weight477.48 g/mol
Exact Mass477.17
IUPAC Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone
SMILESNc1ncc(-c2cc(F)c(C(=O)N3CCCNCC3)c(F)c2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H21F2N7O2/c25-16-11-15(12-17(26)19(16)24(34)33-9-4-7-28-8-10-33)18-13-29-21(27)20(30-18)23-32-31-22(35-23)14-5-2-1-3-6-14/h1-3,5-6,11-13,28H,4,7-10H2,(H2,27,29)
InChIKeyDEAWDAXNBWDECL-UHFFFAOYSA-N
XLogP3.16
TPSA123.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone?
The IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone (CID 59471799) is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone?
The canonical SMILES for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone is Nc1ncc(-c2cc(F)c(C(=O)N3CCCNCC3)c(F)c2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone?
The InChIKey is DEAWDAXNBWDECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N7O2/c25-16-11-15(12-17(26)19(16)24(34)33-9-4-7-28-8-10-33)18-13-29-21(27)20(30-18)23-32-31-22(35-23)14-5-2-1-3-6-14/h1-3,5-6,11-13,28H,4,7-10H2,(H2,27,29).
What are the key properties of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone?
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone has a molecular weight of 477.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 59471799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).