2-[5-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide

C22H18F2N4O2 — CID 59824905

IUPAC2-[5-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4cccc(F)c4F)c3c2)c1
InChIInChI=1S/C22H18F2N4O2/c1-28(2)22(30)20(29)14-6-12(8-25-9-14)13-7-16-17(11-27-21(16)26-10-13)15-4-3-5-18(23)19(15)24/h3-11,20,29H,1-2H3,(H,26,27)
InChIKeyKGWGCUSZLILABL-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.69
Rot. Bonds4

About 2-[5-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide

2-[5-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide (PubChem CID 59824905) has the molecular formula C22H18F2N4O2 and a molecular weight of 408.41 g/mol. Its IUPAC name is 2-[5-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
PubChem CID59824905
Molecular FormulaC22H18F2N4O2
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name2-[5-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4cccc(F)c4F)c3c2)c1
InChIInChI=1S/C22H18F2N4O2/c1-28(2)22(30)20(29)14-6-12(8-25-9-14)13-7-16-17(11-27-21(16)26-10-13)15-4-3-5-18(23)19(15)24/h3-11,20,29H,1-2H3,(H,26,27)
InChIKeyKGWGCUSZLILABL-UHFFFAOYSA-N
XLogP3.69
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The IUPAC name of 2-[5-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide (CID 59824905) is 2-[5-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide is CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4cccc(F)c4F)c3c2)c1.
What is the InChIKey of 2-[5-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The InChIKey is KGWGCUSZLILABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2/c1-28(2)22(30)20(29)14-6-12(8-25-9-14)13-7-16-17(11-27-21(16)26-10-13)15-4-3-5-18(23)19(15)24/h3-11,20,29H,1-2H3,(H,26,27).
What are the key properties of 2-[5-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
2-[5-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide has a molecular weight of 408.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide is sourced from PubChem (CID 59824905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).