3-[6-(3-methylbutylamino)-3-pyridinyl]-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-6-amine

C21H29N7 — CID 53358184

IUPAC3-[6-(3-methylbutylamino)-3-pyridinyl]-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)CCNc1ccc(-c2cnc3ccc(NC4CCN(C)C4)nn23)cn1
InChIInChI=1S/C21H29N7/c1-15(2)8-10-22-19-5-4-16(12-23-19)18-13-24-21-7-6-20(26-28(18)21)25-17-9-11-27(3)14-17/h4-7,12-13,15,17H,8-11,14H2,1-3H3,(H,22,23)(H,25,26)
InChIKeyRUDLWCBRULBWIA-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.37
Rot. Bonds7

About 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-6-amine

3-[6-(3-methylbutylamino)-3-pyridinyl]-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 53358184) has the molecular formula C21H29N7 and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[6-(3-methylbutylamino)-3-pyridinyl]-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID53358184
Molecular FormulaC21H29N7
Molecular Weight379.51 g/mol
Exact Mass379.25
IUPAC Name3-[6-(3-methylbutylamino)-3-pyridinyl]-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)CCNc1ccc(-c2cnc3ccc(NC4CCN(C)C4)nn23)cn1
InChIInChI=1S/C21H29N7/c1-15(2)8-10-22-19-5-4-16(12-23-19)18-13-24-21-7-6-20(26-28(18)21)25-17-9-11-27(3)14-17/h4-7,12-13,15,17H,8-11,14H2,1-3H3,(H,22,23)(H,25,26)
InChIKeyRUDLWCBRULBWIA-UHFFFAOYSA-N
XLogP3.37
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-6-amine (CID 53358184) is 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-6-amine is CC(C)CCNc1ccc(-c2cnc3ccc(NC4CCN(C)C4)nn23)cn1.
What is the InChIKey of 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is RUDLWCBRULBWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7/c1-15(2)8-10-22-19-5-4-16(12-23-19)18-13-24-21-7-6-20(26-28(18)21)25-17-9-11-27(3)14-17/h4-7,12-13,15,17H,8-11,14H2,1-3H3,(H,22,23)(H,25,26).
What are the key properties of 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-6-amine?
3-[6-(3-methylbutylamino)-3-pyridinyl]-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 379.51 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-methylbutylamino)-3-pyridinyl]-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 53358184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).