4-(2,3-difluorophenyl)-5-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole

C23H15F2N5O — CID 71050735

IUPAC4-(2,3-difluorophenyl)-5-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole
SMILESFc1cccc(-c2cnoc2C2CNc3ncc(-c4cnc5[nH]ccc5c4)cc32)c1F
InChIInChI=1S/C23H15F2N5O/c24-19-3-1-2-15(20(19)25)18-11-30-31-21(18)17-10-29-23-16(17)7-14(9-28-23)13-6-12-4-5-26-22(12)27-8-13/h1-9,11,17H,10H2,(H,26,27)(H,28,29)
InChIKeyAEWYOTDIUHLSGN-UHFFFAOYSA-N
MW415.40 g/mol
LogP5.12
Rot. Bonds3

About 4-(2,3-difluorophenyl)-5-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole

4-(2,3-difluorophenyl)-5-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole (PubChem CID 71050735) has the molecular formula C23H15F2N5O and a molecular weight of 415.40 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-5-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-5-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole
PubChem CID71050735
Molecular FormulaC23H15F2N5O
Molecular Weight415.40 g/mol
Exact Mass415.12
IUPAC Name4-(2,3-difluorophenyl)-5-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole
SMILESFc1cccc(-c2cnoc2C2CNc3ncc(-c4cnc5[nH]ccc5c4)cc32)c1F
InChIInChI=1S/C23H15F2N5O/c24-19-3-1-2-15(20(19)25)18-11-30-31-21(18)17-10-29-23-16(17)7-14(9-28-23)13-6-12-4-5-26-22(12)27-8-13/h1-9,11,17H,10H2,(H,26,27)(H,28,29)
InChIKeyAEWYOTDIUHLSGN-UHFFFAOYSA-N
XLogP5.12
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.40
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-difluorophenyl)-5-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-5-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole?
The IUPAC name of 4-(2,3-difluorophenyl)-5-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole (CID 71050735) is 4-(2,3-difluorophenyl)-5-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole.
What is the SMILES notation for 4-(2,3-difluorophenyl)-5-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole?
The canonical SMILES for 4-(2,3-difluorophenyl)-5-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole is Fc1cccc(-c2cnoc2C2CNc3ncc(-c4cnc5[nH]ccc5c4)cc32)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)-5-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole?
The InChIKey is AEWYOTDIUHLSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N5O/c24-19-3-1-2-15(20(19)25)18-11-30-31-21(18)17-10-29-23-16(17)7-14(9-28-23)13-6-12-4-5-26-22(12)27-8-13/h1-9,11,17H,10H2,(H,26,27)(H,28,29).
What are the key properties of 4-(2,3-difluorophenyl)-5-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole?
4-(2,3-difluorophenyl)-5-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole has a molecular weight of 415.40 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-5-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole is sourced from PubChem (CID 71050735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).