[2-(2,5-difluorophenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone

C24H20F2N4O2 — CID 56678780

IUPAC[2-(2,5-difluorophenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone
SMILESO=C(c1c(Oc2cc(F)ccc2F)n(-c2ccccc2)c2cccnc12)N1CCNCC1
InChIInChI=1S/C24H20F2N4O2/c25-16-8-9-18(26)20(15-16)32-24-21(23(31)29-13-11-27-12-14-29)22-19(7-4-10-28-22)30(24)17-5-2-1-3-6-17/h1-10,15,27H,11-14H2
InChIKeyMIRBWZLNJHIWSD-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.14
Rot. Bonds4

About [2-(2,5-difluorophenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone

[2-(2,5-difluorophenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone (PubChem CID 56678780) has the molecular formula C24H20F2N4O2 and a molecular weight of 434.45 g/mol. Its IUPAC name is [2-(2,5-difluorophenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2,5-difluorophenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone
PubChem CID56678780
Molecular FormulaC24H20F2N4O2
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name[2-(2,5-difluorophenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone
SMILESO=C(c1c(Oc2cc(F)ccc2F)n(-c2ccccc2)c2cccnc12)N1CCNCC1
InChIInChI=1S/C24H20F2N4O2/c25-16-8-9-18(26)20(15-16)32-24-21(23(31)29-13-11-27-12-14-29)22-19(7-4-10-28-22)30(24)17-5-2-1-3-6-17/h1-10,15,27H,11-14H2
InChIKeyMIRBWZLNJHIWSD-UHFFFAOYSA-N
XLogP4.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluorophenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(2,5-difluorophenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone (CID 56678780) is [2-(2,5-difluorophenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(2,5-difluorophenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(2,5-difluorophenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone is O=C(c1c(Oc2cc(F)ccc2F)n(-c2ccccc2)c2cccnc12)N1CCNCC1.
What is the InChIKey of [2-(2,5-difluorophenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone?
The InChIKey is MIRBWZLNJHIWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c25-16-8-9-18(26)20(15-16)32-24-21(23(31)29-13-11-27-12-14-29)22-19(7-4-10-28-22)30(24)17-5-2-1-3-6-17/h1-10,15,27H,11-14H2.
What are the key properties of [2-(2,5-difluorophenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone?
[2-(2,5-difluorophenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone has a molecular weight of 434.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluorophenoxy)-1-phenylpyrrolo[3,2-b]pyridin-3-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 56678780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).