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

C14H14BrN5S — CID 167992321

IUPAC4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole
SMILESCc1nc([C@H]2CCCN2c2ccn3ncc(Br)c3n2)cs1
InChIInChI=1S/C14H14BrN5S/c1-9-17-11(8-21-9)12-3-2-5-19(12)13-4-6-20-14(18-13)10(15)7-16-20/h4,6-8,12H,2-3,5H2,1H3/t12-/m1/s1
InChIKeyJGJHRFVQSLKTME-GFCCVEGCSA-N
MW364.27 g/mol
LogP3.60
Rot. Bonds2

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

4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole (PubChem CID 167992321) has the molecular formula C14H14BrN5S and a molecular weight of 364.27 g/mol. Its IUPAC name is 4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole
PubChem CID167992321
Molecular FormulaC14H14BrN5S
Molecular Weight364.27 g/mol
Exact Mass363.02
IUPAC Name4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole
SMILESCc1nc([C@H]2CCCN2c2ccn3ncc(Br)c3n2)cs1
InChIInChI=1S/C14H14BrN5S/c1-9-17-11(8-21-9)12-3-2-5-19(12)13-4-6-20-14(18-13)10(15)7-16-20/h4,6-8,12H,2-3,5H2,1H3/t12-/m1/s1
InChIKeyJGJHRFVQSLKTME-GFCCVEGCSA-N
XLogP3.60
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole
CID 167987407
3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 167934366
4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole
CID 125138191
3-bromo-5-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 167886338
4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine
CID 100651914
2-methyl-4-[(2S)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]-1,3-thiazole
CID 125138200
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
tert-butyl 5-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-2,5-diazabicyclo[4.1.0]heptane-2-carboxylate
CID 167436672
4-[(2R)-1-(4-methyl-2-pyridinyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 169049294
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
5-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine
CID 140870054

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole (CID 167992321) is 4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole is Cc1nc([C@H]2CCCN2c2ccn3ncc(Br)c3n2)cs1.
What is the InChIKey of 4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole?
The InChIKey is JGJHRFVQSLKTME-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14BrN5S/c1-9-17-11(8-21-9)12-3-2-5-19(12)13-4-6-20-14(18-13)10(15)7-16-20/h4,6-8,12H,2-3,5H2,1H3/t12-/m1/s1.
What are the key properties of 4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole?
4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole has a molecular weight of 364.27 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 167992321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).