3-[[5-[6-(1,5-dihydropyrazol-2-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C25H20N8O2 — CID 142552912

IUPAC3-[[5-[6-(1,5-dihydropyrazol-2-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc(N3C=CCN3)nc2)o1
InChIInChI=1S/C25H20N8O2/c34-23-22(29-21(16-7-2-1-3-8-16)18-9-4-5-10-19(18)28-23)30-25-32-31-24(35-25)17-11-12-20(26-15-17)33-14-6-13-27-33/h1-12,14-15,22,27H,13H2,(H,28,34)(H,30,32)
InChIKeyBICVZRGYZBCJRB-UHFFFAOYSA-N
MW464.49 g/mol
LogP3.20
Rot. Bonds5

About 3-[[5-[6-(1,5-dihydropyrazol-2-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

3-[[5-[6-(1,5-dihydropyrazol-2-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 142552912) has the molecular formula C25H20N8O2 and a molecular weight of 464.49 g/mol. Its IUPAC name is 3-[[5-[6-(1,5-dihydropyrazol-2-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-[6-(1,5-dihydropyrazol-2-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID142552912
Molecular FormulaC25H20N8O2
Molecular Weight464.49 g/mol
Exact Mass464.17
IUPAC Name3-[[5-[6-(1,5-dihydropyrazol-2-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc(N3C=CCN3)nc2)o1
InChIInChI=1S/C25H20N8O2/c34-23-22(29-21(16-7-2-1-3-8-16)18-9-4-5-10-19(18)28-23)30-25-32-31-24(35-25)17-11-12-20(26-15-17)33-14-6-13-27-33/h1-12,14-15,22,27H,13H2,(H,28,34)(H,30,32)
InChIKeyBICVZRGYZBCJRB-UHFFFAOYSA-N
XLogP3.20
TPSA120.57 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[[5-[6-(1,5-dihydropyrazol-2-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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Related Compounds

(3S)-5-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 146407007
(3R)-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461408
5-phenyl-3-[[5-(1-phenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 159333458
3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461074
5-phenyl-3-[[5-[4-(1,2,4-triazol-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461545
5-phenyl-3-[[5-(2-phenylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 142552708
3-[[5-[5-(dimethylamino)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461454
(3S)-5-phenyl-3-[[5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 146407070
3-[[5-(3-morpholin-4-ylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461214
(3S)-3-[[5-[1-(5-fluoro-2-pyridinyl)-3-morpholin-4-ylpyrazol-4-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461669
(3S)-3-[[5-(3,3-dimethylcyclobutyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 146407067
3-[[5-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 155124757

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[6-(1,5-dihydropyrazol-2-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-[6-(1,5-dihydropyrazol-2-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 142552912) is 3-[[5-[6-(1,5-dihydropyrazol-2-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-[6-(1,5-dihydropyrazol-2-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-[6-(1,5-dihydropyrazol-2-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(-c2ccc(N3C=CCN3)nc2)o1.
What is the InChIKey of 3-[[5-[6-(1,5-dihydropyrazol-2-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is BICVZRGYZBCJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N8O2/c34-23-22(29-21(16-7-2-1-3-8-16)18-9-4-5-10-19(18)28-23)30-25-32-31-24(35-25)17-11-12-20(26-15-17)33-14-6-13-27-33/h1-12,14-15,22,27H,13H2,(H,28,34)(H,30,32).
What are the key properties of 3-[[5-[6-(1,5-dihydropyrazol-2-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
3-[[5-[6-(1,5-dihydropyrazol-2-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 464.49 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[6-(1,5-dihydropyrazol-2-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 142552912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).