2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

C23H19F3N4O3 — CID 59824928

IUPAC2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccc(OC(F)(F)F)cc4)c3c2)c1
InChIInChI=1S/C23H19F3N4O3/c1-30(2)22(32)20(31)16-7-14(9-27-10-16)15-8-18-19(12-29-21(18)28-11-15)13-3-5-17(6-4-13)33-23(24,25)26/h3-12,20,31H,1-2H3,(H,28,29)
InChIKeyOVFBJRRVWUPHIQ-UHFFFAOYSA-N
MW456.42 g/mol
LogP4.31
Rot. Bonds5

About 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 59824928) has the molecular formula C23H19F3N4O3 and a molecular weight of 456.42 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
PubChem CID59824928
Molecular FormulaC23H19F3N4O3
Molecular Weight456.42 g/mol
Exact Mass456.14
IUPAC Name2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccc(OC(F)(F)F)cc4)c3c2)c1
InChIInChI=1S/C23H19F3N4O3/c1-30(2)22(32)20(31)16-7-14(9-27-10-16)15-8-18-19(12-29-21(18)28-11-15)13-3-5-17(6-4-13)33-23(24,25)26/h3-12,20,31H,1-2H3,(H,28,29)
InChIKeyOVFBJRRVWUPHIQ-UHFFFAOYSA-N
XLogP4.31
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 59824928) is 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccc(OC(F)(F)F)cc4)c3c2)c1.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The InChIKey is OVFBJRRVWUPHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3/c1-30(2)22(32)20(31)16-7-14(9-27-10-16)15-8-18-19(12-29-21(18)28-11-15)13-3-5-17(6-4-13)33-23(24,25)26/h3-12,20,31H,1-2H3,(H,28,29).
What are the key properties of 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 456.42 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 59824928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).