6-bromo-3-(1-methylpyrazol-4-yl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C15H12BrN7 — CID 53324705

IUPAC6-bromo-3-(1-methylpyrazol-4-yl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(Br)c(-c4cccnc4)nc23)cn1
InChIInChI=1S/C15H12BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h2-8H,17H2,1H3
InChIKeyHIVMHIQACKWODA-UHFFFAOYSA-N
MW370.21 g/mol
LogP2.54
Rot. Bonds2

About 6-bromo-3-(1-methylpyrazol-4-yl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-(1-methylpyrazol-4-yl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53324705) has the molecular formula C15H12BrN7 and a molecular weight of 370.21 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpyrazol-4-yl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-(1-methylpyrazol-4-yl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID53324705
Molecular FormulaC15H12BrN7
Molecular Weight370.21 g/mol
Exact Mass369.03
IUPAC Name6-bromo-3-(1-methylpyrazol-4-yl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(Br)c(-c4cccnc4)nc23)cn1
InChIInChI=1S/C15H12BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h2-8H,17H2,1H3
InChIKeyHIVMHIQACKWODA-UHFFFAOYSA-N
XLogP2.54
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
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-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 53324705) is 6-bromo-3-(1-methylpyrazol-4-yl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-(1-methylpyrazol-4-yl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-(1-methylpyrazol-4-yl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)c(Br)c(-c4cccnc4)nc23)cn1.
What is the InChIKey of 6-bromo-3-(1-methylpyrazol-4-yl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HIVMHIQACKWODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h2-8H,17H2,1H3.
What are the key properties of 6-bromo-3-(1-methylpyrazol-4-yl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-(1-methylpyrazol-4-yl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 370.21 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 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-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53324705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).