3-bromo-5-isopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C15H16BrN5 — CID 10043221

IUPAC3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)C1=NC2=C(C=NN2C(=C1)NCC3=CN=CC=C3)Br
InChIInChI=1S/C15H16BrN5/c1-10(2)13-6-14(18-8-11-4-3-5-17-7-11)21-15(20-13)12(16)9-19-21/h3-7,9-10,18H,8H2,1-2H3
InChIKeyMMWMWUIAVIIWKJ-UHFFFAOYSA-N
MW346.22 g/mol
LogP2.90
Rot. Bonds4

About 3-bromo-5-isopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-isopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 10043221) has the molecular formula C15H16BrN5 and a molecular weight of 346.22 g/mol. Its IUPAC name is 3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-isopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID10043221
Molecular FormulaC15H16BrN5
Molecular Weight346.22 g/mol
Exact Mass345.06
IUPAC Name3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)C1=NC2=C(C=NN2C(=C1)NCC3=CN=CC=C3)Br
InChIInChI=1S/C15H16BrN5/c1-10(2)13-6-14(18-8-11-4-3-5-17-7-11)21-15(20-13)12(16)9-19-21/h3-7,9-10,18H,8H2,1-2H3
InChIKeyMMWMWUIAVIIWKJ-UHFFFAOYSA-N
XLogP2.90
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity340

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-5-isopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-isopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-isopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 10043221) is 3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-isopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-isopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)C1=NC2=C(C=NN2C(=C1)NCC3=CN=CC=C3)Br.
What is the InChIKey of 3-bromo-5-isopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MMWMWUIAVIIWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5/c1-10(2)13-6-14(18-8-11-4-3-5-17-7-11)21-15(20-13)12(16)9-19-21/h3-7,9-10,18H,8H2,1-2H3.
What are the key properties of 3-bromo-5-isopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-isopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 346.22 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-isopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 10043221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).