10-[2-[4-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

C26H24FN11O — CID 59295865

IUPAC10-[2-[4-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESNc1nc2c(cnn2CCN2CCN(c3cc(-c4cnco4)ccc3F)CC2)c2nc(-c3ccccn3)nn12
InChIInChI=1S/C26H24FN11O/c27-19-5-4-17(22-15-29-16-39-22)13-21(19)36-10-7-35(8-11-36)9-12-37-24-18(14-31-37)25-32-23(20-3-1-2-6-30-20)34-38(25)26(28)33-24/h1-6,13-16H,7-12H2,(H2,28,33)
InChIKeyZOBBAOBODUJGTH-UHFFFAOYSA-N
MW525.55 g/mol
LogP2.73
Rot. Bonds6

About 10-[2-[4-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

10-[2-[4-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (PubChem CID 59295865) has the molecular formula C26H24FN11O and a molecular weight of 525.55 g/mol. Its IUPAC name is 10-[2-[4-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.

Molecular Properties

Compound Name10-[2-[4-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
PubChem CID59295865
Molecular FormulaC26H24FN11O
Molecular Weight525.55 g/mol
Exact Mass525.21
IUPAC Name10-[2-[4-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESNc1nc2c(cnn2CCN2CCN(c3cc(-c4cnco4)ccc3F)CC2)c2nc(-c3ccccn3)nn12
InChIInChI=1S/C26H24FN11O/c27-19-5-4-17(22-15-29-16-39-22)13-21(19)36-10-7-35(8-11-36)9-12-37-24-18(14-31-37)25-32-23(20-3-1-2-6-30-20)34-38(25)26(28)33-24/h1-6,13-16H,7-12H2,(H2,28,33)
InChIKeyZOBBAOBODUJGTH-UHFFFAOYSA-N
XLogP2.73
TPSA132.32 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.55
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 10-[2-[4-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[2-[4-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The IUPAC name of 10-[2-[4-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (CID 59295865) is 10-[2-[4-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.
What is the SMILES notation for 10-[2-[4-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The canonical SMILES for 10-[2-[4-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is Nc1nc2c(cnn2CCN2CCN(c3cc(-c4cnco4)ccc3F)CC2)c2nc(-c3ccccn3)nn12.
What is the InChIKey of 10-[2-[4-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The InChIKey is ZOBBAOBODUJGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN11O/c27-19-5-4-17(22-15-29-16-39-22)13-21(19)36-10-7-35(8-11-36)9-12-37-24-18(14-31-37)25-32-23(20-3-1-2-6-30-20)34-38(25)26(28)33-24/h1-6,13-16H,7-12H2,(H2,28,33).
What are the key properties of 10-[2-[4-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
10-[2-[4-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine has a molecular weight of 525.55 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[4-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyridin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is sourced from PubChem (CID 59295865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).