N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]acetamide

C23H15F3N8O — CID 121280703

IUPACN-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
SMILESO=C(Cn1ccc2c(-c3ccnc(C(F)(F)F)c3)ncnc21)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C23H15F3N8O/c24-23(25,26)18-9-14(3-5-29-18)21-16-4-8-34(22(16)32-13-31-21)12-20(35)33-19-2-1-15(10-30-19)17-11-27-6-7-28-17/h1-11,13H,12H2,(H,30,33,35)
InChIKeyOFVZKOSLNUNKOX-UHFFFAOYSA-N
MW476.42 g/mol
LogP4.00
Rot. Bonds5

About N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]acetamide

N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]acetamide (PubChem CID 121280703) has the molecular formula C23H15F3N8O and a molecular weight of 476.42 g/mol. Its IUPAC name is N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]acetamide.

Molecular Properties

Compound NameN-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
PubChem CID121280703
Molecular FormulaC23H15F3N8O
Molecular Weight476.42 g/mol
Exact Mass476.13
IUPAC NameN-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
SMILESO=C(Cn1ccc2c(-c3ccnc(C(F)(F)F)c3)ncnc21)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C23H15F3N8O/c24-23(25,26)18-9-14(3-5-29-18)21-16-4-8-34(22(16)32-13-31-21)12-20(35)33-19-2-1-15(10-30-19)17-11-27-6-7-28-17/h1-11,13H,12H2,(H,30,33,35)
InChIKeyOFVZKOSLNUNKOX-UHFFFAOYSA-N
XLogP4.00
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]acetamide?
The IUPAC name of N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]acetamide (CID 121280703) is N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]acetamide.
What is the SMILES notation for N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]acetamide?
The canonical SMILES for N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]acetamide is O=C(Cn1ccc2c(-c3ccnc(C(F)(F)F)c3)ncnc21)Nc1ccc(-c2cnccn2)cn1.
What is the InChIKey of N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]acetamide?
The InChIKey is OFVZKOSLNUNKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N8O/c24-23(25,26)18-9-14(3-5-29-18)21-16-4-8-34(22(16)32-13-31-21)12-20(35)33-19-2-1-15(10-30-19)17-11-27-6-7-28-17/h1-11,13H,12H2,(H,30,33,35).
What are the key properties of N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]acetamide?
N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]acetamide has a molecular weight of 476.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]acetamide is sourced from PubChem (CID 121280703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).