4-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine

C12H9F3N4 — CID 147607020

IUPAC4-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESFC(F)(F)Cn1ccc(-c2ncnc3[nH]ccc23)c1
InChIInChI=1S/C12H9F3N4/c13-12(14,15)6-19-4-2-8(5-19)10-9-1-3-16-11(9)18-7-17-10/h1-5,7H,6H2,(H,16,17,18)
InChIKeyGBGKZRNZGPHKOH-UHFFFAOYSA-N
MW266.23 g/mol
LogP2.99
Rot. Bonds2

About 4-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine

4-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 147607020) has the molecular formula C12H9F3N4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 4-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID147607020
Molecular FormulaC12H9F3N4
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC Name4-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESFC(F)(F)Cn1ccc(-c2ncnc3[nH]ccc23)c1
InChIInChI=1S/C12H9F3N4/c13-12(14,15)6-19-4-2-8(5-19)10-9-1-3-16-11(9)18-7-17-10/h1-5,7H,6H2,(H,16,17,18)
InChIKeyGBGKZRNZGPHKOH-UHFFFAOYSA-N
XLogP2.99
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrol-1-yl]butanenitrile
CID 174581397
4-[1-(1,1,1,5,5-pentafluoropentan-2-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 57478028
4-fluoro-7H-pyrrolo[2,3-d]pyrimidine
CID 77134589
4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 24963935
4-[1-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 123660047
4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 166375892
4-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 74221294
1-[2-ethyl-5-(trifluoromethyl)phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide
CID 118129205
3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-[3-(trifluoromethyl)cyclobutyl]propanenitrile
CID 176734774
N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]-4-(trifluoromethyl)benzamide
CID 118139095
4-(1-hex-5-yn-3-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 57477904
4-[1-(1-cyclopentyl-4,4-difluorobutyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 57478013

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 147607020) is 4-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine is FC(F)(F)Cn1ccc(-c2ncnc3[nH]ccc23)c1.
What is the InChIKey of 4-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is GBGKZRNZGPHKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4/c13-12(14,15)6-19-4-2-8(5-19)10-9-1-3-16-11(9)18-7-17-10/h1-5,7H,6H2,(H,16,17,18).
What are the key properties of 4-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine?
4-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 266.23 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 147607020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).