4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine

C26H24F2N4O2 — CID 135457901

IUPAC4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine
SMILESFc1cccc(-c2cnoc2-c2c[nH]c3ncc(C4=CCC(N5CCOCC5)CC4)cc23)c1F
InChIInChI=1S/C26H24F2N4O2/c27-23-3-1-2-19(24(23)28)22-15-31-34-25(22)21-14-30-26-20(21)12-17(13-29-26)16-4-6-18(7-5-16)32-8-10-33-11-9-32/h1-4,12-15,18H,5-11H2,(H,29,30)
InChIKeyZGAJFZNXPUGSMY-UHFFFAOYSA-N
MW462.50 g/mol
LogP5.43
Rot. Bonds4

About 4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine

4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine (PubChem CID 135457901) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is 4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine
PubChem CID135457901
Molecular FormulaC26H24F2N4O2
Molecular Weight462.50 g/mol
Exact Mass462.19
IUPAC Name4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine
SMILESFc1cccc(-c2cnoc2-c2c[nH]c3ncc(C4=CCC(N5CCOCC5)CC4)cc23)c1F
InChIInChI=1S/C26H24F2N4O2/c27-23-3-1-2-19(24(23)28)22-15-31-34-25(22)21-14-30-26-20(21)12-17(13-29-26)16-4-6-18(7-5-16)32-8-10-33-11-9-32/h1-4,12-15,18H,5-11H2,(H,29,30)
InChIKeyZGAJFZNXPUGSMY-UHFFFAOYSA-N
XLogP5.43
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.50
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine?
The IUPAC name of 4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine (CID 135457901) is 4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine.
What is the SMILES notation for 4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine?
The canonical SMILES for 4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine is Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(C4=CCC(N5CCOCC5)CC4)cc23)c1F.
What is the InChIKey of 4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine?
The InChIKey is ZGAJFZNXPUGSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c27-23-3-1-2-19(24(23)28)22-15-31-34-25(22)21-14-30-26-20(21)12-17(13-29-26)16-4-6-18(7-5-16)32-8-10-33-11-9-32/h1-4,12-15,18H,5-11H2,(H,29,30).
What are the key properties of 4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine?
4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine has a molecular weight of 462.50 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine is sourced from PubChem (CID 135457901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).