6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C13H14BrN7O — CID 137209351

IUPAC6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(N3CCC(n4cc(Br)cn4)C3)nc21
InChIInChI=1S/C13H14BrN7O/c1-19-11-10(5-15-19)12(22)18-13(17-11)20-3-2-9(7-20)21-6-8(14)4-16-21/h4-6,9H,2-3,7H2,1H3,(H,17,18,22)
InChIKeyZBUOOJHRMKLAOK-UHFFFAOYSA-N
MW364.21 g/mol
LogP1.07
Rot. Bonds2

About 6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137209351) has the molecular formula C13H14BrN7O and a molecular weight of 364.21 g/mol. Its IUPAC name is 6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137209351
Molecular FormulaC13H14BrN7O
Molecular Weight364.21 g/mol
Exact Mass363.04
IUPAC Name6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(N3CCC(n4cc(Br)cn4)C3)nc21
InChIInChI=1S/C13H14BrN7O/c1-19-11-10(5-15-19)12(22)18-13(17-11)20-3-2-9(7-20)21-6-8(14)4-16-21/h4-6,9H,2-3,7H2,1H3,(H,17,18,22)
InChIKeyZBUOOJHRMKLAOK-UHFFFAOYSA-N
XLogP1.07
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137205782
1-methyl-6-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137226125
1-methyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 141390559
1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261672
5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 146089222
6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137097239
2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 126947069
1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137097230
1-tert-butyl-6-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264676
1-methyl-6-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137193673
6-[(1R,6S)-2-azabicyclo[4.1.0]heptan-2-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137136400
6-[4-(3-isocyano-2-pyridinyl)piperazin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137145491

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137209351) is 6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(N3CCC(n4cc(Br)cn4)C3)nc21.
What is the InChIKey of 6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZBUOOJHRMKLAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN7O/c1-19-11-10(5-15-19)12(22)18-13(17-11)20-3-2-9(7-20)21-6-8(14)4-16-21/h4-6,9H,2-3,7H2,1H3,(H,17,18,22).
What are the key properties of 6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 364.21 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137209351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).