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

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

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

Launch Full Analysis

Related Compounds

Trilaciclib
CID 68029831
Lerociclib
CID 86269224
Trilaciclib dihydrochloride
CID 124081865
1H-Pyrrolo(3,2-c)pyridine-1-acetamide, 4-(2-methyl-4-pyridinyl)-N-(5-(2-pyrazinyl)-2-pyridinyl)-
CID 121280694
Bay-985
CID 145925685
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
9-Cyclopentyl-N-(5-Piperazin-1-Ylpyridin-2-Yl)pyrido[4,5]pyrrolo[1,2-D]pyrimidin-2-Amine
CID 44132585
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (2-phenyl-imidazo[1,2-a]pyrimidin-7-yl)-amide
CID 53468024
N-{6-[6-Amino-5-(Trifluoromethyl)pyridin-3-Yl]imidazo[1,2-A]pyridin-2-Yl}acetamide
CID 59251679
US11420970, Example 198
CID 156073186
Spiro[cyclohexane-1,9'(6'H)-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidin]-6'-one, 7',8'-dihydro-2'-[[5-(1-piperazinyl)-2-pyridinyl]amino]-
CID 89798202
Cyclopentyl-{4-[2-(4-fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-amine
CID 9826083

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).