6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C15H17BrN6 — CID 58364903

IUPAC6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1ccc(-c2cnn3c(N)c(Br)c([C@@H]4CCNC4)nc23)c1
InChIInChI=1S/C15H17BrN6/c1-21-5-3-10(8-21)11-7-19-22-14(17)12(16)13(20-15(11)22)9-2-4-18-6-9/h3,5,7-9,18H,2,4,6,17H2,1H3/t9-/m1/s1
InChIKeyGWAFBXODKLIIJZ-SECBINFHSA-N
MW361.25 g/mol
LogP2.16
Rot. Bonds2

About 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58364903) has the molecular formula C15H17BrN6 and a molecular weight of 361.25 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID58364903
Molecular FormulaC15H17BrN6
Molecular Weight361.25 g/mol
Exact Mass360.07
IUPAC Name6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1ccc(-c2cnn3c(N)c(Br)c([C@@H]4CCNC4)nc23)c1
InChIInChI=1S/C15H17BrN6/c1-21-5-3-10(8-21)11-7-19-22-14(17)12(16)13(20-15(11)22)9-2-4-18-6-9/h3,5,7-9,18H,2,4,6,17H2,1H3/t9-/m1/s1
InChIKeyGWAFBXODKLIIJZ-SECBINFHSA-N
XLogP2.16
TPSA73.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 58364903) is 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine is Cn1ccc(-c2cnn3c(N)c(Br)c([C@@H]4CCNC4)nc23)c1.
What is the InChIKey of 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GWAFBXODKLIIJZ-SECBINFHSA-N. The full InChI is InChI=1S/C15H17BrN6/c1-21-5-3-10(8-21)11-7-19-22-14(17)12(16)13(20-15(11)22)9-2-4-18-6-9/h3,5,7-9,18H,2,4,6,17H2,1H3/t9-/m1/s1.
What are the key properties of 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 361.25 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-methylpyrrol-3-yl)-5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58364903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).