2-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole

C13H13BrN6O — CID 167987407

IUPAC2-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc([C@H]2CCCN2c2ccn3ncc(Br)c3n2)o1
InChIInChI=1S/C13H13BrN6O/c1-8-17-18-13(21-8)10-3-2-5-19(10)11-4-6-20-12(16-11)9(14)7-15-20/h4,6-7,10H,2-3,5H2,1H3/t10-/m1/s1
InChIKeyKDECRLNFZYNOJR-SNVBAGLBSA-N
MW349.19 g/mol
LogP2.52
Rot. Bonds2

About 2-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole

2-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 167987407) has the molecular formula C13H13BrN6O and a molecular weight of 349.19 g/mol. Its IUPAC name is 2-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID167987407
Molecular FormulaC13H13BrN6O
Molecular Weight349.19 g/mol
Exact Mass348.03
IUPAC Name2-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc([C@H]2CCCN2c2ccn3ncc(Br)c3n2)o1
InChIInChI=1S/C13H13BrN6O/c1-8-17-18-13(21-8)10-3-2-5-19(10)11-4-6-20-12(16-11)9(14)7-15-20/h4,6-7,10H,2-3,5H2,1H3/t10-/m1/s1
InChIKeyKDECRLNFZYNOJR-SNVBAGLBSA-N
XLogP2.52
TPSA72.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole
CID 167992321
3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 167934366
3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 167886338
2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
CID 121395278
5-[(2R)-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 68910098
5-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 154592188
9,15-dimethyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
CID 142573846
5-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine
CID 140870054
tert-butyl 5-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-2,5-diazabicyclo[4.1.0]heptane-2-carboxylate
CID 167436672
2-[(2S)-1-(3-bromo-7-methylsulfanylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-2-yl]ethanol;2-[(2S)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)piperidin-2-yl]ethanol
CID 158781405
tert-butyl (2S)-2-[[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 86697430
9-fluoro-14-methyl-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,11(25),17(24),18,21-heptaen-16-one
CID 134468698

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole (CID 167987407) is 2-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole is Cc1nnc([C@H]2CCCN2c2ccn3ncc(Br)c3n2)o1.
What is the InChIKey of 2-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is KDECRLNFZYNOJR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13BrN6O/c1-8-17-18-13(21-8)10-3-2-5-19(10)11-4-6-20-12(16-11)9(14)7-15-20/h4,6-7,10H,2-3,5H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole?
2-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 349.19 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 167987407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).