(3R)-9-fluoro-3-[[5-(2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C26H22FN7O3 — CID 134461675

IUPAC(3R)-9-fluoro-3-[[5-(2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2c(F)cccc2C(c2ccccc2)=N[C@H]1Nc1nnc(-c2cccnc2N2CCOCC2)o1
InChIInChI=1S/C26H22FN7O3/c27-19-10-4-8-17-20(16-6-2-1-3-7-16)29-22(24(35)30-21(17)19)31-26-33-32-25(37-26)18-9-5-11-28-23(18)34-12-14-36-15-13-34/h1-11,22H,12-15H2,(H,30,35)(H,31,33)/t22-/m0/s1
InChIKeyMQFAMXQYYZQLTH-QFIPXVFZSA-N
MW499.51 g/mol
LogP3.34
Rot. Bonds5

About (3R)-9-fluoro-3-[[5-(2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

(3R)-9-fluoro-3-[[5-(2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 134461675) has the molecular formula C26H22FN7O3 and a molecular weight of 499.51 g/mol. Its IUPAC name is (3R)-9-fluoro-3-[[5-(2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name(3R)-9-fluoro-3-[[5-(2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID134461675
Molecular FormulaC26H22FN7O3
Molecular Weight499.51 g/mol
Exact Mass499.18
IUPAC Name(3R)-9-fluoro-3-[[5-(2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2c(F)cccc2C(c2ccccc2)=N[C@H]1Nc1nnc(-c2cccnc2N2CCOCC2)o1
InChIInChI=1S/C26H22FN7O3/c27-19-10-4-8-17-20(16-6-2-1-3-7-16)29-22(24(35)30-21(17)19)31-26-33-32-25(37-26)18-9-5-11-28-23(18)34-12-14-36-15-13-34/h1-11,22H,12-15H2,(H,30,35)(H,31,33)/t22-/m0/s1
InChIKeyMQFAMXQYYZQLTH-QFIPXVFZSA-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 (3R)-9-fluoro-3-[[5-(2-morpholin-4-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 (3R)-9-fluoro-3-[[5-(2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of (3R)-9-fluoro-3-[[5-(2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 134461675) is (3R)-9-fluoro-3-[[5-(2-morpholin-4-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 (3R)-9-fluoro-3-[[5-(2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for (3R)-9-fluoro-3-[[5-(2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2c(F)cccc2C(c2ccccc2)=N[C@H]1Nc1nnc(-c2cccnc2N2CCOCC2)o1.
What is the InChIKey of (3R)-9-fluoro-3-[[5-(2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is MQFAMXQYYZQLTH-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H22FN7O3/c27-19-10-4-8-17-20(16-6-2-1-3-7-16)29-22(24(35)30-21(17)19)31-26-33-32-25(37-26)18-9-5-11-28-23(18)34-12-14-36-15-13-34/h1-11,22H,12-15H2,(H,30,35)(H,31,33)/t22-/m0/s1.
What are the key properties of (3R)-9-fluoro-3-[[5-(2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
(3R)-9-fluoro-3-[[5-(2-morpholin-4-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 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 (3R)-9-fluoro-3-[[5-(2-morpholin-4-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 134461675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).