3-[[5-(3-fluoro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C26H22FN7O3 — CID 134461197

IUPAC3-[[5-(3-fluoro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ncc(N3CCOCC3)cc2F)o1
InChIInChI=1S/C26H22FN7O3/c27-19-14-17(34-10-12-36-13-11-34)15-28-22(19)25-32-33-26(37-25)31-23-24(35)29-20-9-5-4-8-18(20)21(30-23)16-6-2-1-3-7-16/h1-9,14-15,23H,10-13H2,(H,29,35)(H,31,33)
InChIKeyDRNDQCIIHTVOPE-UHFFFAOYSA-N
MW499.51 g/mol
LogP3.34
Rot. Bonds5

About 3-[[5-(3-fluoro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

3-[[5-(3-fluoro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 134461197) has the molecular formula C26H22FN7O3 and a molecular weight of 499.51 g/mol. Its IUPAC name is 3-[[5-(3-fluoro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-[[5-(3-fluoro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID134461197
Molecular FormulaC26H22FN7O3
Molecular Weight499.51 g/mol
Exact Mass499.18
IUPAC Name3-[[5-(3-fluoro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ncc(N3CCOCC3)cc2F)o1
InChIInChI=1S/C26H22FN7O3/c27-19-14-17(34-10-12-36-13-11-34)15-28-22(19)25-32-33-26(37-25)31-23-24(35)29-20-9-5-4-8-18(20)21(30-23)16-6-2-1-3-7-16/h1-9,14-15,23H,10-13H2,(H,29,35)(H,31,33)
InChIKeyDRNDQCIIHTVOPE-UHFFFAOYSA-N
XLogP3.34
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[[5-(3-fluoro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-fluoro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 3-[[5-(3-fluoro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 134461197) is 3-[[5-(3-fluoro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-[[5-(3-fluoro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-[[5-(3-fluoro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ncc(N3CCOCC3)cc2F)o1.
What is the InChIKey of 3-[[5-(3-fluoro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is DRNDQCIIHTVOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN7O3/c27-19-14-17(34-10-12-36-13-11-34)15-28-22(19)25-32-33-26(37-25)31-23-24(35)29-20-9-5-4-8-18(20)21(30-23)16-6-2-1-3-7-16/h1-9,14-15,23H,10-13H2,(H,29,35)(H,31,33).
What are the key properties of 3-[[5-(3-fluoro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
3-[[5-(3-fluoro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 499.51 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-fluoro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 134461197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).