3-(6-chloro-4-methylpyridazin-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyridine

C15H15ClN4 — CID 54583497

IUPAC3-(6-chloro-4-methylpyridazin-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyridine
SMILESCc1cc(Cl)nnc1-c1c(C(C)C)nn2ccccc12
InChIInChI=1S/C15H15ClN4/c1-9(2)14-13(11-6-4-5-7-20(11)19-14)15-10(3)8-12(16)17-18-15/h4-9H,1-3H3
InChIKeyOTAXBQFXICDGCB-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.88
Rot. Bonds2

About 3-(6-chloro-4-methylpyridazin-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyridine

3-(6-chloro-4-methylpyridazin-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyridine (PubChem CID 54583497) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 3-(6-chloro-4-methylpyridazin-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(6-chloro-4-methylpyridazin-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyridine
PubChem CID54583497
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name3-(6-chloro-4-methylpyridazin-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyridine
SMILESCc1cc(Cl)nnc1-c1c(C(C)C)nn2ccccc12
InChIInChI=1S/C15H15ClN4/c1-9(2)14-13(11-6-4-5-7-20(11)19-14)15-10(3)8-12(16)17-18-15/h4-9H,1-3H3
InChIKeyOTAXBQFXICDGCB-UHFFFAOYSA-N
XLogP3.88
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-4-methylpyridazin-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyridine?
The IUPAC name of 3-(6-chloro-4-methylpyridazin-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyridine (CID 54583497) is 3-(6-chloro-4-methylpyridazin-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-(6-chloro-4-methylpyridazin-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-(6-chloro-4-methylpyridazin-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyridine is Cc1cc(Cl)nnc1-c1c(C(C)C)nn2ccccc12.
What is the InChIKey of 3-(6-chloro-4-methylpyridazin-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyridine?
The InChIKey is OTAXBQFXICDGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-9(2)14-13(11-6-4-5-7-20(11)19-14)15-10(3)8-12(16)17-18-15/h4-9H,1-3H3.
What are the key properties of 3-(6-chloro-4-methylpyridazin-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyridine?
3-(6-chloro-4-methylpyridazin-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyridine has a molecular weight of 286.77 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-4-methylpyridazin-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 54583497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).