6-(cyclopentylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine

C34H39F3N8O3 — CID 137152789

IUPAC6-(cyclopentylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine
SMILESC=C1CC(Cc2cc(C(F)(F)F)ccn2)=Nc2c1cnn2C1CCOCC1.O=c1[nH]c(CC2CCCC2)nc2c1cnn2C1CCOC1
InChIInChI=1S/C19H19F3N4O.C15H20N4O2/c1-12-8-15(10-14-9-13(2-5-23-14)19(20,21)22)25-18-17(12)11-24-26(18)16-3-6-27-7-4-16;20-15-12-8-16-19(11-5-6-21-9-11)14(12)17-13(18-15)7-10-3-1-2-4-10/h2,5,9,11,16H,1,3-4,6-8,10H2;8,10-11H,1-7,9H2,(H,17,18,20)
InChIKeyFQWLMHYNWFOPID-UHFFFAOYSA-N
MW664.73 g/mol
LogP6.19
Rot. Bonds6

About 6-(cyclopentylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine

6-(cyclopentylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine (PubChem CID 137152789) has the molecular formula C34H39F3N8O3 and a molecular weight of 664.73 g/mol. Its IUPAC name is 6-(cyclopentylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(cyclopentylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine
PubChem CID137152789
Molecular FormulaC34H39F3N8O3
Molecular Weight664.73 g/mol
Exact Mass664.31
IUPAC Name6-(cyclopentylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine
SMILESC=C1CC(Cc2cc(C(F)(F)F)ccn2)=Nc2c1cnn2C1CCOCC1.O=c1[nH]c(CC2CCCC2)nc2c1cnn2C1CCOC1
InChIInChI=1S/C19H19F3N4O.C15H20N4O2/c1-12-8-15(10-14-9-13(2-5-23-14)19(20,21)22)25-18-17(12)11-24-26(18)16-3-6-27-7-4-16;20-15-12-8-16-19(11-5-6-21-9-11)14(12)17-13(18-15)7-10-3-1-2-4-10/h2,5,9,11,16H,1,3-4,6-8,10H2;8,10-11H,1-7,9H2,(H,17,18,20)
InChIKeyFQWLMHYNWFOPID-UHFFFAOYSA-N
XLogP6.19
TPSA125.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.73
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-(cyclopentylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine with MolForge

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Related Compounds

Osoresnontrine
CID 135908617
trans-1-cyclopentyl-6-(4-methyl-1-((6-(trifluoromethyl)pyridin-3-yl)methyl)pyrrolidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135860092
6-{(3S,4S)-4-methyl-1-[(6-methylpyridin-3-yl)methyl]pyrrolidin-3-yl}-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886467
6-[(3S,4S)-4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136128521
6-[(3R,4R)-3-fluoro-4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 145990073
6-[(1R)-1-[3-(4-methyl-2-pyridinyl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873839
6-[(1R)-1-[3-(6-methyl-2-pyridinyl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873842
1-(oxan-4-yl)-6-[(1R)-1-(3-pyridin-2-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873849
1,5-Dihydro-6-[(1R)-1-[3-(6-methyl-2-pyridinyl)-1-azetidinyl]propyl]-1-(tetrahydro-2H-pyran-4-yl)-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135873862
1-(oxan-4-yl)-6-[(1R)-1-(3-pyridin-2-ylazetidin-1-yl)propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873865
1-(oxan-4-yl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135912130
6-[[2-(5-fluoro-2-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135912131

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(cyclopentylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine (CID 137152789) is 6-(cyclopentylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(cyclopentylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(cyclopentylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine is C=C1CC(Cc2cc(C(F)(F)F)ccn2)=Nc2c1cnn2C1CCOCC1.O=c1[nH]c(CC2CCCC2)nc2c1cnn2C1CCOC1.
What is the InChIKey of 6-(cyclopentylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine?
The InChIKey is FQWLMHYNWFOPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O.C15H20N4O2/c1-12-8-15(10-14-9-13(2-5-23-14)19(20,21)22)25-18-17(12)11-24-26(18)16-3-6-27-7-4-16;20-15-12-8-16-19(11-5-6-21-9-11)14(12)17-13(18-15)7-10-3-1-2-4-10/h2,5,9,11,16H,1,3-4,6-8,10H2;8,10-11H,1-7,9H2,(H,17,18,20).
What are the key properties of 6-(cyclopentylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine?
6-(cyclopentylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine has a molecular weight of 664.73 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 137152789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).