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

C27H24FN7O2 — CID 134461617

IUPAC3-[[5-[2-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2cccnc2N2CCC(F)CC2)o1
InChIInChI=1S/C27H24FN7O2/c28-18-12-15-35(16-13-18)24-20(10-6-14-29-24)26-33-34-27(37-26)32-23-25(36)30-21-11-5-4-9-19(21)22(31-23)17-7-2-1-3-8-17/h1-11,14,18,23H,12-13,15-16H2,(H,30,36)(H,32,34)
InChIKeyABPWVSBBKNSUQY-UHFFFAOYSA-N
MW497.53 g/mol
LogP4.30
Rot. Bonds5

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

3-[[5-[2-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 134461617) has the molecular formula C27H24FN7O2 and a molecular weight of 497.53 g/mol. Its IUPAC name is 3-[[5-[2-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-[[5-[2-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID134461617
Molecular FormulaC27H24FN7O2
Molecular Weight497.53 g/mol
Exact Mass497.20
IUPAC Name3-[[5-[2-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2cccnc2N2CCC(F)CC2)o1
InChIInChI=1S/C27H24FN7O2/c28-18-12-15-35(16-13-18)24-20(10-6-14-29-24)26-33-34-27(37-26)32-23-25(36)30-21-11-5-4-9-19(21)22(31-23)17-7-2-1-3-8-17/h1-11,14,18,23H,12-13,15-16H2,(H,30,36)(H,32,34)
InChIKeyABPWVSBBKNSUQY-UHFFFAOYSA-N
XLogP4.30
TPSA108.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[5-[2-(4-fluoropiperidin-1-yl)-3-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-[2-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 3-[[5-[2-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 134461617) is 3-[[5-[2-(4-fluoropiperidin-1-yl)-3-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-[2-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-[[5-[2-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2cccnc2N2CCC(F)CC2)o1.
What is the InChIKey of 3-[[5-[2-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is ABPWVSBBKNSUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN7O2/c28-18-12-15-35(16-13-18)24-20(10-6-14-29-24)26-33-34-27(37-26)32-23-25(36)30-21-11-5-4-9-19(21)22(31-23)17-7-2-1-3-8-17/h1-11,14,18,23H,12-13,15-16H2,(H,30,36)(H,32,34).
What are the key properties of 3-[[5-[2-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
3-[[5-[2-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 497.53 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[2-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 134461617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).