10-[2,3-bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine

C31H18F2N4O — CID 134578894

IUPAC10-[2,3-bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine
SMILESFc1ccc(-c2nc3ccnc(N4c5ccccc5Oc5ccccc54)c3nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C31H18F2N4O/c32-21-13-9-19(10-14-21)28-29(20-11-15-22(33)16-12-20)36-30-23(35-28)17-18-34-31(30)37-24-5-1-3-7-26(24)38-27-8-4-2-6-25(27)37/h1-18H
InChIKeyOENOOQOQRLWBLB-UHFFFAOYSA-N
MW500.51 g/mol
LogP8.21
Rot. Bonds3

About 10-[2,3-bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine

10-[2,3-bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine (PubChem CID 134578894) has the molecular formula C31H18F2N4O and a molecular weight of 500.51 g/mol. Its IUPAC name is 10-[2,3-bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine.

Molecular Properties

Compound Name10-[2,3-bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine
PubChem CID134578894
Molecular FormulaC31H18F2N4O
Molecular Weight500.51 g/mol
Exact Mass500.14
IUPAC Name10-[2,3-bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine
SMILESFc1ccc(-c2nc3ccnc(N4c5ccccc5Oc5ccccc54)c3nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C31H18F2N4O/c32-21-13-9-19(10-14-21)28-29(20-11-15-22(33)16-12-20)36-30-23(35-28)17-18-34-31(30)37-24-5-1-3-7-26(24)38-27-8-4-2-6-25(27)37/h1-18H
InChIKeyOENOOQOQRLWBLB-UHFFFAOYSA-N
XLogP8.21
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.51
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[2,3-bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine?
The IUPAC name of 10-[2,3-bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine (CID 134578894) is 10-[2,3-bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine.
What is the SMILES notation for 10-[2,3-bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine?
The canonical SMILES for 10-[2,3-bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine is Fc1ccc(-c2nc3ccnc(N4c5ccccc5Oc5ccccc54)c3nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 10-[2,3-bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine?
The InChIKey is OENOOQOQRLWBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18F2N4O/c32-21-13-9-19(10-14-21)28-29(20-11-15-22(33)16-12-20)36-30-23(35-28)17-18-34-31(30)37-24-5-1-3-7-26(24)38-27-8-4-2-6-25(27)37/h1-18H.
What are the key properties of 10-[2,3-bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine?
10-[2,3-bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine has a molecular weight of 500.51 g/mol, XLogP of 8.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2,3-bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine is sourced from PubChem (CID 134578894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).