6-bromo-3-(5-methylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C16H18BrN5O — CID 58853436

IUPAC6-bromo-3-(5-methylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)co1
InChIInChI=1S/C16H18BrN5O/c1-9-5-11(8-23-9)12-7-20-22-15(18)13(17)14(21-16(12)22)10-3-2-4-19-6-10/h5,7-8,10,19H,2-4,6,18H2,1H3
InChIKeyDCFRJSSGDVAKQR-UHFFFAOYSA-N
MW376.26 g/mol
LogP3.11
Rot. Bonds2

About 6-bromo-3-(5-methylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-(5-methylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58853436) has the molecular formula C16H18BrN5O and a molecular weight of 376.26 g/mol. Its IUPAC name is 6-bromo-3-(5-methylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-(5-methylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID58853436
Molecular FormulaC16H18BrN5O
Molecular Weight376.26 g/mol
Exact Mass375.07
IUPAC Name6-bromo-3-(5-methylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)co1
InChIInChI=1S/C16H18BrN5O/c1-9-5-11(8-23-9)12-7-20-22-15(18)13(17)14(21-16(12)22)10-3-2-4-19-6-10/h5,7-8,10,19H,2-4,6,18H2,1H3
InChIKeyDCFRJSSGDVAKQR-UHFFFAOYSA-N
XLogP3.11
TPSA81.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(5-methylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-(5-methylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 58853436) is 6-bromo-3-(5-methylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-(5-methylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-(5-methylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)co1.
What is the InChIKey of 6-bromo-3-(5-methylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DCFRJSSGDVAKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN5O/c1-9-5-11(8-23-9)12-7-20-22-15(18)13(17)14(21-16(12)22)10-3-2-4-19-6-10/h5,7-8,10,19H,2-4,6,18H2,1H3.
What are the key properties of 6-bromo-3-(5-methylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-(5-methylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 376.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(5-methylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58853436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).