propan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride

C20H24ClN5O2 — CID 86696442

IUPACpropan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride
SMILESCC(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccccc4)n3n2)CC1.Cl
InChIInChI=1S/C20H23N5O2.ClH/c1-15(2)27-20(26)24-12-10-23(11-13-24)19-9-8-18-21-14-17(25(18)22-19)16-6-4-3-5-7-16;/h3-9,14-15H,10-13H2,1-2H3;1H
InChIKeyHSAZNNJMUVDQJY-UHFFFAOYSA-N
MW401.90 g/mol
LogP3.49
Rot. Bonds3

About propan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride

propan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride (PubChem CID 86696442) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is propan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride
PubChem CID86696442
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Namepropan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride
SMILESCC(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccccc4)n3n2)CC1.Cl
InChIInChI=1S/C20H23N5O2.ClH/c1-15(2)27-20(26)24-12-10-23(11-13-24)19-9-8-18-21-14-17(25(18)22-19)16-6-4-3-5-7-16;/h3-9,14-15H,10-13H2,1-2H3;1H
InChIKeyHSAZNNJMUVDQJY-UHFFFAOYSA-N
XLogP3.49
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride?
The IUPAC name of propan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride (CID 86696442) is propan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for propan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for propan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride is CC(C)OC(=O)N1CCN(c2ccc3ncc(-c4ccccc4)n3n2)CC1.Cl.
What is the InChIKey of propan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride?
The InChIKey is HSAZNNJMUVDQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2.ClH/c1-15(2)27-20(26)24-12-10-23(11-13-24)19-9-8-18-21-14-17(25(18)22-19)16-6-4-3-5-7-16;/h3-9,14-15H,10-13H2,1-2H3;1H.
What are the key properties of propan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride?
propan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride has a molecular weight of 401.90 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 86696442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).