2-[4-(2,4-difluorophenoxy)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylacetamide

C25H21F2N5O3 — CID 118093793

IUPAC2-[4-(2,4-difluorophenoxy)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cnc2c(Oc3ccc(F)cc3F)c(-c3cn(C)c(=O)c4[nH]ccc34)ccc21
InChIInChI=1S/C25H21F2N5O3/c1-30(2)21(33)12-32-13-29-23-19(32)6-5-16(24(23)35-20-7-4-14(26)10-18(20)27)17-11-31(3)25(34)22-15(17)8-9-28-22/h4-11,13,28H,12H2,1-3H3
InChIKeyWEHFAXNUNLMYNG-UHFFFAOYSA-N
MW477.47 g/mol
LogP4.04
Rot. Bonds5

About 2-[4-(2,4-difluorophenoxy)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylacetamide

2-[4-(2,4-difluorophenoxy)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylacetamide (PubChem CID 118093793) has the molecular formula C25H21F2N5O3 and a molecular weight of 477.47 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenoxy)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenoxy)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylacetamide
PubChem CID118093793
Molecular FormulaC25H21F2N5O3
Molecular Weight477.47 g/mol
Exact Mass477.16
IUPAC Name2-[4-(2,4-difluorophenoxy)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cnc2c(Oc3ccc(F)cc3F)c(-c3cn(C)c(=O)c4[nH]ccc34)ccc21
InChIInChI=1S/C25H21F2N5O3/c1-30(2)21(33)12-32-13-29-23-19(32)6-5-16(24(23)35-20-7-4-14(26)10-18(20)27)17-11-31(3)25(34)22-15(17)8-9-28-22/h4-11,13,28H,12H2,1-3H3
InChIKeyWEHFAXNUNLMYNG-UHFFFAOYSA-N
XLogP4.04
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenoxy)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(2,4-difluorophenoxy)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylacetamide (CID 118093793) is 2-[4-(2,4-difluorophenoxy)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(2,4-difluorophenoxy)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(2,4-difluorophenoxy)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cnc2c(Oc3ccc(F)cc3F)c(-c3cn(C)c(=O)c4[nH]ccc34)ccc21.
What is the InChIKey of 2-[4-(2,4-difluorophenoxy)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is WEHFAXNUNLMYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O3/c1-30(2)21(33)12-32-13-29-23-19(32)6-5-16(24(23)35-20-7-4-14(26)10-18(20)27)17-11-31(3)25(34)22-15(17)8-9-28-22/h4-11,13,28H,12H2,1-3H3.
What are the key properties of 2-[4-(2,4-difluorophenoxy)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylacetamide?
2-[4-(2,4-difluorophenoxy)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 477.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenoxy)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzimidazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 118093793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).