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

C22H19FN4O2 — CID 59825055

IUPAC2-[5-[3-(2-fluorophenyl)-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(-c4ccccc4F)c3c2)c1
InChIInChI=1S/C22H19FN4O2/c1-27(2)22(29)20(28)15-7-13(9-24-10-15)14-8-17-18(12-26-21(17)25-11-14)16-5-3-4-6-19(16)23/h3-12,20,28H,1-2H3,(H,25,26)
InChIKeyLEDFXCNASXVGKE-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.55
Rot. Bonds4

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

2-[5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide (PubChem CID 59825055) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-[5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
PubChem CID59825055
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name2-[5-[3-(2-fluorophenyl)-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(-c4ccccc4F)c3c2)c1
InChIInChI=1S/C22H19FN4O2/c1-27(2)22(29)20(28)15-7-13(9-24-10-15)14-8-17-18(12-26-21(17)25-11-14)16-5-3-4-6-19(16)23/h3-12,20,28H,1-2H3,(H,25,26)
InChIKeyLEDFXCNASXVGKE-UHFFFAOYSA-N
XLogP3.55
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 135289834
CID 135289834
CID 148813371
CID 148813371
CID 153308867
CID 153308867
CID 153308914
CID 153308914
CID 134138526
CID 134138526
CID 59362364
CID 59362364
CID 72706461
CID 72706461
CID 72706580
CID 72706580
CID 135302805
CID 135302805
CID 135302889
CID 135302889
CID 149682626
CID 149682626
CID 149682627
CID 149682627

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The IUPAC name of 2-[5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide (CID 59825055) is 2-[5-[3-(2-fluorophenyl)-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-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-[3-(2-fluorophenyl)-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(-c4ccccc4F)c3c2)c1.
What is the InChIKey of 2-[5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The InChIKey is LEDFXCNASXVGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-27(2)22(29)20(28)15-7-13(9-24-10-15)14-8-17-18(12-26-21(17)25-11-14)16-5-3-4-6-19(16)23/h3-12,20,28H,1-2H3,(H,25,26).
What are the key properties of 2-[5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
2-[5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide has a molecular weight of 390.42 g/mol, XLogP of 3.55, 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-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide is sourced from PubChem (CID 59825055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).