6-bromo-3-(1-methylpyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C16H20BrN7 — CID 53326007

IUPAC6-bromo-3-(1-methylpyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(Br)c(CC4CCCNC4)nc23)cn1
InChIInChI=1S/C16H20BrN7/c1-23-9-11(7-20-23)12-8-21-24-15(18)14(17)13(22-16(12)24)5-10-3-2-4-19-6-10/h7-10,19H,2-6,18H2,1H3
InChIKeyKGHAUCVQULTIQE-UHFFFAOYSA-N
MW390.29 g/mol
LogP2.02
Rot. Bonds3

About 6-bromo-3-(1-methylpyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-(1-methylpyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53326007) has the molecular formula C16H20BrN7 and a molecular weight of 390.29 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-(1-methylpyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID53326007
Molecular FormulaC16H20BrN7
Molecular Weight390.29 g/mol
Exact Mass389.10
IUPAC Name6-bromo-3-(1-methylpyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(Br)c(CC4CCCNC4)nc23)cn1
InChIInChI=1S/C16H20BrN7/c1-23-9-11(7-20-23)12-8-21-24-15(18)14(17)13(22-16(12)24)5-10-3-2-4-19-6-10/h7-10,19H,2-6,18H2,1H3
InChIKeyKGHAUCVQULTIQE-UHFFFAOYSA-N
XLogP2.02
TPSA86.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 53326007) is 6-bromo-3-(1-methylpyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-(1-methylpyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-(1-methylpyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)c(Br)c(CC4CCCNC4)nc23)cn1.
What is the InChIKey of 6-bromo-3-(1-methylpyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KGHAUCVQULTIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN7/c1-23-9-11(7-20-23)12-8-21-24-15(18)14(17)13(22-16(12)24)5-10-3-2-4-19-6-10/h7-10,19H,2-6,18H2,1H3.
What are the key properties of 6-bromo-3-(1-methylpyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-(1-methylpyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 390.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-methylpyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53326007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).