6-chloro-N-(2,2-dimethylpropyl)-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine

C20H23ClN4O2 — CID 87113003

IUPAC6-chloro-N-(2,2-dimethylpropyl)-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC(C)(C)CNc1cc(Cl)nn2c(-c3ccc(C4OCCO4)cc3)cnc12
InChIInChI=1S/C20H23ClN4O2/c1-20(2,3)12-23-15-10-17(21)24-25-16(11-22-18(15)25)13-4-6-14(7-5-13)19-26-8-9-27-19/h4-7,10-11,19,23H,8-9,12H2,1-3H3
InChIKeyADPYFFATBPCEPI-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.55
Rot. Bonds4

About 6-chloro-N-(2,2-dimethylpropyl)-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine

6-chloro-N-(2,2-dimethylpropyl)-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 87113003) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 6-chloro-N-(2,2-dimethylpropyl)-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-dimethylpropyl)-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID87113003
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name6-chloro-N-(2,2-dimethylpropyl)-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC(C)(C)CNc1cc(Cl)nn2c(-c3ccc(C4OCCO4)cc3)cnc12
InChIInChI=1S/C20H23ClN4O2/c1-20(2,3)12-23-15-10-17(21)24-25-16(11-22-18(15)25)13-4-6-14(7-5-13)19-26-8-9-27-19/h4-7,10-11,19,23H,8-9,12H2,1-3H3
InChIKeyADPYFFATBPCEPI-UHFFFAOYSA-N
XLogP4.55
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-(2,2-dimethylpropyl)-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-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 6-chloro-N-(2,2-dimethylpropyl)-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-chloro-N-(2,2-dimethylpropyl)-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine (CID 87113003) is 6-chloro-N-(2,2-dimethylpropyl)-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-chloro-N-(2,2-dimethylpropyl)-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-chloro-N-(2,2-dimethylpropyl)-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine is CC(C)(C)CNc1cc(Cl)nn2c(-c3ccc(C4OCCO4)cc3)cnc12.
What is the InChIKey of 6-chloro-N-(2,2-dimethylpropyl)-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is ADPYFFATBPCEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-20(2,3)12-23-15-10-17(21)24-25-16(11-22-18(15)25)13-4-6-14(7-5-13)19-26-8-9-27-19/h4-7,10-11,19,23H,8-9,12H2,1-3H3.
What are the key properties of 6-chloro-N-(2,2-dimethylpropyl)-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine?
6-chloro-N-(2,2-dimethylpropyl)-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 386.88 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-dimethylpropyl)-3-[4-(1,3-dioxolan-2-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 87113003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).