6-[2-(5-propan-2-ylindazol-1-yl)propan-2-yl]imidazo[1,2-b]pyridazine

C19H21N5 — CID 170239702

IUPAC6-[2-(5-propan-2-ylindazol-1-yl)propan-2-yl]imidazo[1,2-b]pyridazine
SMILESCC(C)c1ccc2c(cnn2C(C)(C)c2ccc3nccn3n2)c1
InChIInChI=1S/C19H21N5/c1-13(2)14-5-6-16-15(11-14)12-21-24(16)19(3,4)17-7-8-18-20-9-10-23(18)22-17/h5-13H,1-4H3
InChIKeyQPHYALIIZCDOLZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.99
Rot. Bonds3

About 6-[2-(5-propan-2-ylindazol-1-yl)propan-2-yl]imidazo[1,2-b]pyridazine

6-[2-(5-propan-2-ylindazol-1-yl)propan-2-yl]imidazo[1,2-b]pyridazine (PubChem CID 170239702) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-[2-(5-propan-2-ylindazol-1-yl)propan-2-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[2-(5-propan-2-ylindazol-1-yl)propan-2-yl]imidazo[1,2-b]pyridazine
PubChem CID170239702
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name6-[2-(5-propan-2-ylindazol-1-yl)propan-2-yl]imidazo[1,2-b]pyridazine
SMILESCC(C)c1ccc2c(cnn2C(C)(C)c2ccc3nccn3n2)c1
InChIInChI=1S/C19H21N5/c1-13(2)14-5-6-16-15(11-14)12-21-24(16)19(3,4)17-7-8-18-20-9-10-23(18)22-17/h5-13H,1-4H3
InChIKeyQPHYALIIZCDOLZ-UHFFFAOYSA-N
XLogP3.99
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-propan-2-ylindazol-1-yl)propan-2-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[2-(5-propan-2-ylindazol-1-yl)propan-2-yl]imidazo[1,2-b]pyridazine (CID 170239702) is 6-[2-(5-propan-2-ylindazol-1-yl)propan-2-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[2-(5-propan-2-ylindazol-1-yl)propan-2-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[2-(5-propan-2-ylindazol-1-yl)propan-2-yl]imidazo[1,2-b]pyridazine is CC(C)c1ccc2c(cnn2C(C)(C)c2ccc3nccn3n2)c1.
What is the InChIKey of 6-[2-(5-propan-2-ylindazol-1-yl)propan-2-yl]imidazo[1,2-b]pyridazine?
The InChIKey is QPHYALIIZCDOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-13(2)14-5-6-16-15(11-14)12-21-24(16)19(3,4)17-7-8-18-20-9-10-23(18)22-17/h5-13H,1-4H3.
What are the key properties of 6-[2-(5-propan-2-ylindazol-1-yl)propan-2-yl]imidazo[1,2-b]pyridazine?
6-[2-(5-propan-2-ylindazol-1-yl)propan-2-yl]imidazo[1,2-b]pyridazine has a molecular weight of 319.41 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-propan-2-ylindazol-1-yl)propan-2-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 170239702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).