1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine

C19H21F3N6O — CID 133446138

IUPAC1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCC(C)(C)n1ncc2c(N3CCC(Oc4ccc(C(F)(F)F)cn4)C3)ncnc21
InChIInChI=1S/C19H21F3N6O/c1-18(2,3)28-17-14(9-26-28)16(24-11-25-17)27-7-6-13(10-27)29-15-5-4-12(8-23-15)19(20,21)22/h4-5,8-9,11,13H,6-7,10H2,1-3H3
InChIKeyWSWSCHANCFHURO-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.65
Rot. Bonds3

About 1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine

1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 133446138) has the molecular formula C19H21F3N6O and a molecular weight of 406.41 g/mol. Its IUPAC name is 1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID133446138
Molecular FormulaC19H21F3N6O
Molecular Weight406.41 g/mol
Exact Mass406.17
IUPAC Name1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCC(C)(C)n1ncc2c(N3CCC(Oc4ccc(C(F)(F)F)cn4)C3)ncnc21
InChIInChI=1S/C19H21F3N6O/c1-18(2,3)28-17-14(9-26-28)16(24-11-25-17)27-7-6-13(10-27)29-15-5-4-12(8-23-15)19(20,21)22/h4-5,8-9,11,13H,6-7,10H2,1-3H3
InChIKeyWSWSCHANCFHURO-UHFFFAOYSA-N
XLogP3.65
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinazoline
CID 133446224
6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine
CID 133446315
3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine
CID 133446213
2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 57057806
2-tert-butyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 127733624
5-chloro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-3-carboxamide
CID 133446217
4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine
CID 133446164
5-(trifluoromethyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
CID 156814447
[2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride
CID 166070002
4-pyrazol-1-yl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-amine
CID 133445982
2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 133446292
6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 133446274

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 133446138) is 1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine is CC(C)(C)n1ncc2c(N3CCC(Oc4ccc(C(F)(F)F)cn4)C3)ncnc21.
What is the InChIKey of 1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is WSWSCHANCFHURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O/c1-18(2,3)28-17-14(9-26-28)16(24-11-25-17)27-7-6-13(10-27)29-15-5-4-12(8-23-15)19(20,21)22/h4-5,8-9,11,13H,6-7,10H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 406.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 133446138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).