4-[6-(2,4-difluorophenoxy)-3H-indol-7-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C22H15F2N3O2 — CID 159598806

IUPAC4-[6-(2,4-difluorophenoxy)-3H-indol-7-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2c(Oc3ccc(F)cc3F)ccc3c2N=CC3)c2cc[nH]c2c1=O
InChIInChI=1S/C22H15F2N3O2/c1-27-11-15(14-7-9-26-21(14)22(27)28)19-18(4-2-12-6-8-25-20(12)19)29-17-5-3-13(23)10-16(17)24/h2-5,7-11,26H,6H2,1H3
InChIKeyMLERKXCSNJCLPV-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.86
Rot. Bonds3

About 4-[6-(2,4-difluorophenoxy)-3H-indol-7-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-[6-(2,4-difluorophenoxy)-3H-indol-7-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 159598806) has the molecular formula C22H15F2N3O2 and a molecular weight of 391.38 g/mol. Its IUPAC name is 4-[6-(2,4-difluorophenoxy)-3H-indol-7-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[6-(2,4-difluorophenoxy)-3H-indol-7-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID159598806
Molecular FormulaC22H15F2N3O2
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC Name4-[6-(2,4-difluorophenoxy)-3H-indol-7-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2c(Oc3ccc(F)cc3F)ccc3c2N=CC3)c2cc[nH]c2c1=O
InChIInChI=1S/C22H15F2N3O2/c1-27-11-15(14-7-9-26-21(14)22(27)28)19-18(4-2-12-6-8-25-20(12)19)29-17-5-3-13(23)10-16(17)24/h2-5,7-11,26H,6H2,1H3
InChIKeyMLERKXCSNJCLPV-UHFFFAOYSA-N
XLogP4.86
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-difluorophenoxy)-3-methyl-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-benzimidazol-2-one
CID 118093648
4-[2-(2,4-difluorophenoxy)-5-propan-2-ylsulfanylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135226795
4-[2-(2,4-difluorophenoxy)-5-(propan-2-ylsulfonimidoyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135226794
4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 144852829
4-[4-(2,4-difluorophenoxy)-1-methyl-2,3-dihydrobenzotriazol-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 118132045
4-(2,4-difluorophenoxy)-1,3-dimethyl-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-2-one;molecular hydrogen
CID 144852859
N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]propanamide
CID 171637997
4-[2-(2,4-difluorophenoxy)-5-(oxetan-3-ylsulfonimidoyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135226946
7-[2-(2,4-difluorophenoxy)-5-(methylamino)phenyl]-5-methyl-1H-pyrrolo[3,2-c]pyridin-4-one
CID 134512417
4-[5-[[acetyl(ethyl)-λ4-sulfanylidene]amino]-2-(2,4-difluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 142401024
[1-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzoyl]pyrrolidin-3-yl] N-tert-butylcarbamate
CID 71617574
4-[2-(4-chloro-2-fluorophenoxy)-5-(ethylsulfonimidoyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135227198

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,4-difluorophenoxy)-3H-indol-7-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[6-(2,4-difluorophenoxy)-3H-indol-7-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 159598806) is 4-[6-(2,4-difluorophenoxy)-3H-indol-7-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[6-(2,4-difluorophenoxy)-3H-indol-7-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[6-(2,4-difluorophenoxy)-3H-indol-7-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cc(-c2c(Oc3ccc(F)cc3F)ccc3c2N=CC3)c2cc[nH]c2c1=O.
What is the InChIKey of 4-[6-(2,4-difluorophenoxy)-3H-indol-7-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is MLERKXCSNJCLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O2/c1-27-11-15(14-7-9-26-21(14)22(27)28)19-18(4-2-12-6-8-25-20(12)19)29-17-5-3-13(23)10-16(17)24/h2-5,7-11,26H,6H2,1H3.
What are the key properties of 4-[6-(2,4-difluorophenoxy)-3H-indol-7-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[6-(2,4-difluorophenoxy)-3H-indol-7-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 391.38 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,4-difluorophenoxy)-3H-indol-7-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 159598806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).