6-[(1R,2R)-2-(5-ethylpyrimidin-2-yl)cyclobutyl]-4-oxo-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile

C24H21F3N8O — CID 137356875

IUPAC6-[(1R,2R)-2-(5-ethylpyrimidin-2-yl)cyclobutyl]-4-oxo-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile
SMILESCCc1cnc([C@@H]2CC[C@H]2c2nc3c(c(C#N)nn3[C@H](C)c3ccc(C(F)(F)F)nc3)c(=O)[nH]2)nc1
InChIInChI=1S/C24H21F3N8O/c1-3-13-9-30-20(31-10-13)15-5-6-16(15)21-32-22-19(23(36)33-21)17(8-28)34-35(22)12(2)14-4-7-18(29-11-14)24(25,26)27/h4,7,9-12,15-16H,3,5-6H2,1-2H3,(H,32,33,36)/t12-,15-,16-/m1/s1
InChIKeyVMABGNBOHHGZNG-DAXOMENPSA-N
MW494.48 g/mol
LogP4.03
Rot. Bonds5

About 6-[(1R,2R)-2-(5-ethylpyrimidin-2-yl)cyclobutyl]-4-oxo-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile

6-[(1R,2R)-2-(5-ethylpyrimidin-2-yl)cyclobutyl]-4-oxo-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile (PubChem CID 137356875) has the molecular formula C24H21F3N8O and a molecular weight of 494.48 g/mol. Its IUPAC name is 6-[(1R,2R)-2-(5-ethylpyrimidin-2-yl)cyclobutyl]-4-oxo-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1R,2R)-2-(5-ethylpyrimidin-2-yl)cyclobutyl]-4-oxo-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile
PubChem CID137356875
Molecular FormulaC24H21F3N8O
Molecular Weight494.48 g/mol
Exact Mass494.18
IUPAC Name6-[(1R,2R)-2-(5-ethylpyrimidin-2-yl)cyclobutyl]-4-oxo-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile
SMILESCCc1cnc([C@@H]2CC[C@H]2c2nc3c(c(C#N)nn3[C@H](C)c3ccc(C(F)(F)F)nc3)c(=O)[nH]2)nc1
InChIInChI=1S/C24H21F3N8O/c1-3-13-9-30-20(31-10-13)15-5-6-16(15)21-32-22-19(23(36)33-21)17(8-28)34-35(22)12(2)14-4-7-18(29-11-14)24(25,26)27/h4,7,9-12,15-16H,3,5-6H2,1-2H3,(H,32,33,36)/t12-,15-,16-/m1/s1
InChIKeyVMABGNBOHHGZNG-DAXOMENPSA-N
XLogP4.03
TPSA126.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(1R,2R)-2-(5-ethylpyrimidin-2-yl)cyclobutyl]-4-oxo-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,2R)-2-(5-ethylpyrimidin-2-yl)cyclobutyl]-4-oxo-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile?
The IUPAC name of 6-[(1R,2R)-2-(5-ethylpyrimidin-2-yl)cyclobutyl]-4-oxo-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile (CID 137356875) is 6-[(1R,2R)-2-(5-ethylpyrimidin-2-yl)cyclobutyl]-4-oxo-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-[(1R,2R)-2-(5-ethylpyrimidin-2-yl)cyclobutyl]-4-oxo-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-[(1R,2R)-2-(5-ethylpyrimidin-2-yl)cyclobutyl]-4-oxo-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile is CCc1cnc([C@@H]2CC[C@H]2c2nc3c(c(C#N)nn3[C@H](C)c3ccc(C(F)(F)F)nc3)c(=O)[nH]2)nc1.
What is the InChIKey of 6-[(1R,2R)-2-(5-ethylpyrimidin-2-yl)cyclobutyl]-4-oxo-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile?
The InChIKey is VMABGNBOHHGZNG-DAXOMENPSA-N. The full InChI is InChI=1S/C24H21F3N8O/c1-3-13-9-30-20(31-10-13)15-5-6-16(15)21-32-22-19(23(36)33-21)17(8-28)34-35(22)12(2)14-4-7-18(29-11-14)24(25,26)27/h4,7,9-12,15-16H,3,5-6H2,1-2H3,(H,32,33,36)/t12-,15-,16-/m1/s1.
What are the key properties of 6-[(1R,2R)-2-(5-ethylpyrimidin-2-yl)cyclobutyl]-4-oxo-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile?
6-[(1R,2R)-2-(5-ethylpyrimidin-2-yl)cyclobutyl]-4-oxo-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile has a molecular weight of 494.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,2R)-2-(5-ethylpyrimidin-2-yl)cyclobutyl]-4-oxo-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile is sourced from PubChem (CID 137356875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).