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

C23H19F3N4O2 — CID 59824871

IUPAC2-hydroxy-N,N-dimethyl-2-[5-[3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4cccc(C(F)(F)F)c4)c3c2)c1
InChIInChI=1S/C23H19F3N4O2/c1-30(2)22(32)20(31)16-6-14(9-27-10-16)15-8-18-19(12-29-21(18)28-11-15)13-4-3-5-17(7-13)23(24,25)26/h3-12,20,31H,1-2H3,(H,28,29)
InChIKeyJCPSWVCXGUVCCX-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.43
Rot. Bonds4

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

2-hydroxy-N,N-dimethyl-2-[5-[3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 59824871) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-2-[5-[3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-2-[5-[3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
PubChem CID59824871
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name2-hydroxy-N,N-dimethyl-2-[5-[3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4cccc(C(F)(F)F)c4)c3c2)c1
InChIInChI=1S/C23H19F3N4O2/c1-30(2)22(32)20(31)16-6-14(9-27-10-16)15-8-18-19(12-29-21(18)28-11-15)13-4-3-5-17(7-13)23(24,25)26/h3-12,20,31H,1-2H3,(H,28,29)
InChIKeyJCPSWVCXGUVCCX-UHFFFAOYSA-N
XLogP4.43
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 59824871) is 2-hydroxy-N,N-dimethyl-2-[5-[3-[3-(trifluoromethyl)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-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-2-[5-[3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4cccc(C(F)(F)F)c4)c3c2)c1.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-2-[5-[3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The InChIKey is JCPSWVCXGUVCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-30(2)22(32)20(31)16-6-14(9-27-10-16)15-8-18-19(12-29-21(18)28-11-15)13-4-3-5-17(7-13)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-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
2-hydroxy-N,N-dimethyl-2-[5-[3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 440.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-2-[5-[3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 59824871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).