4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one

C21H15F2N5O2 — CID 118093906

IUPAC4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
SMILESCn1cc(-c2ccc3c(ncn3C)c2Oc2ccc(F)cc2F)c2cn[nH]c2c1=O
InChIInChI=1S/C21H15F2N5O2/c1-27-9-14(13-8-25-26-18(13)21(27)29)12-4-5-16-19(24-10-28(16)2)20(12)30-17-6-3-11(22)7-15(17)23/h3-10H,1-2H3,(H,25,26)
InChIKeyJDLXSAZKXCMYEA-UHFFFAOYSA-N
MW407.38 g/mol
LogP3.89
Rot. Bonds3

About 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one

4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one (PubChem CID 118093906) has the molecular formula C21H15F2N5O2 and a molecular weight of 407.38 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
PubChem CID118093906
Molecular FormulaC21H15F2N5O2
Molecular Weight407.38 g/mol
Exact Mass407.12
IUPAC Name4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
SMILESCn1cc(-c2ccc3c(ncn3C)c2Oc2ccc(F)cc2F)c2cn[nH]c2c1=O
InChIInChI=1S/C21H15F2N5O2/c1-27-9-14(13-8-25-26-18(13)21(27)29)12-4-5-16-19(24-10-28(16)2)20(12)30-17-6-3-11(22)7-15(17)23/h3-10H,1-2H3,(H,25,26)
InChIKeyJDLXSAZKXCMYEA-UHFFFAOYSA-N
XLogP3.89
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
2-[4-(2,4-difluorophenoxy)-5-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid;2-[7-(2,4-difluorophenoxy)-6-[6-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-4-yl]benzimidazol-1-yl]acetic acid
CID 157100616
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-[4-(2,4-difluorophenoxy)-1H-benzimidazol-5-yl]-6-methyl-7-oxopyrrolo[2,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate
CID 118093913
4-[2-(2,4-difluorophenoxy)-5-propan-2-ylsulfanylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135226795
7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one
CID 134512273
7-[2-(2,4-difluorophenoxy)-5-(methylamino)phenyl]-5-methyl-1H-pyrrolo[3,2-c]pyridin-4-one
CID 134512417
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-(propan-2-ylsulfonimidoyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135226794
4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one
CID 134512110

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one (CID 118093906) is 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one is Cn1cc(-c2ccc3c(ncn3C)c2Oc2ccc(F)cc2F)c2cn[nH]c2c1=O.
What is the InChIKey of 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
The InChIKey is JDLXSAZKXCMYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O2/c1-27-9-14(13-8-25-26-18(13)21(27)29)12-4-5-16-19(24-10-28(16)2)20(12)30-17-6-3-11(22)7-15(17)23/h3-10H,1-2H3,(H,25,26).
What are the key properties of 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one?
4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one has a molecular weight of 407.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 118093906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).