3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C23H20F4N6O — CID 137289711

IUPAC3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(c1ccc(C(F)(F)F)nc1)n1nc(C2CC2)c2c(=O)[nH]c(Cc3ccc(F)cn3)nc21
InChIInChI=1S/C23H20F4N6O/c1-2-16(13-5-8-17(29-10-13)23(25,26)27)33-21-19(20(32-33)12-3-4-12)22(34)31-18(30-21)9-15-7-6-14(24)11-28-15/h5-8,10-12,16H,2-4,9H2,1H3,(H,30,31,34)
InChIKeyISTDMRJUNIMXGU-UHFFFAOYSA-N
MW472.45 g/mol
LogP4.54
Rot. Bonds6

About 3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137289711) has the molecular formula C23H20F4N6O and a molecular weight of 472.45 g/mol. Its IUPAC name is 3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137289711
Molecular FormulaC23H20F4N6O
Molecular Weight472.45 g/mol
Exact Mass472.16
IUPAC Name3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(c1ccc(C(F)(F)F)nc1)n1nc(C2CC2)c2c(=O)[nH]c(Cc3ccc(F)cn3)nc21
InChIInChI=1S/C23H20F4N6O/c1-2-16(13-5-8-17(29-10-13)23(25,26)27)33-21-19(20(32-33)12-3-4-12)22(34)31-18(30-21)9-15-7-6-14(24)11-28-15/h5-8,10-12,16H,2-4,9H2,1H3,(H,30,31,34)
InChIKeyISTDMRJUNIMXGU-UHFFFAOYSA-N
XLogP4.54
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one 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 3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137289711) is 3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCC(c1ccc(C(F)(F)F)nc1)n1nc(C2CC2)c2c(=O)[nH]c(Cc3ccc(F)cn3)nc21.
What is the InChIKey of 3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ISTDMRJUNIMXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N6O/c1-2-16(13-5-8-17(29-10-13)23(25,26)27)33-21-19(20(32-33)12-3-4-12)22(34)31-18(30-21)9-15-7-6-14(24)11-28-15/h5-8,10-12,16H,2-4,9H2,1H3,(H,30,31,34).
What are the key properties of 3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 472.45 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[(5-fluoro-2-pyridinyl)methyl]-1-[1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137289711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).