3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-amine

C24H25N5O2 — CID 66695628

IUPAC3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-amine
SMILESCC(C)CNc1cc(-c2ccncc2)nn2c(-c3ccc(C4OCCO4)cc3)cnc12
InChIInChI=1S/C24H25N5O2/c1-16(2)14-26-21-13-20(17-7-9-25-10-8-17)28-29-22(15-27-23(21)29)18-3-5-19(6-4-18)24-30-11-12-31-24/h3-10,13,15-16,24,26H,11-12,14H2,1-2H3
InChIKeyFJXBVCUNMIPAPD-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.57
Rot. Bonds6

About 3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-amine

3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-amine (PubChem CID 66695628) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-amine
PubChem CID66695628
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-amine
SMILESCC(C)CNc1cc(-c2ccncc2)nn2c(-c3ccc(C4OCCO4)cc3)cnc12
InChIInChI=1S/C24H25N5O2/c1-16(2)14-26-21-13-20(17-7-9-25-10-8-17)28-29-22(15-27-23(21)29)18-3-5-19(6-4-18)24-30-11-12-31-24/h3-10,13,15-16,24,26H,11-12,14H2,1-2H3
InChIKeyFJXBVCUNMIPAPD-UHFFFAOYSA-N
XLogP4.57
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-amine (CID 66695628) is 3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-amine is CC(C)CNc1cc(-c2ccncc2)nn2c(-c3ccc(C4OCCO4)cc3)cnc12.
What is the InChIKey of 3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-amine?
The InChIKey is FJXBVCUNMIPAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16(2)14-26-21-13-20(17-7-9-25-10-8-17)28-29-22(15-27-23(21)29)18-3-5-19(6-4-18)24-30-11-12-31-24/h3-10,13,15-16,24,26H,11-12,14H2,1-2H3.
What are the key properties of 3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-amine?
3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-amine has a molecular weight of 415.50 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-dioxolan-2-yl)phenyl]-N-(2-methylpropyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 66695628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).