5-[6-(4-aminopiperidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)pyridin-2-amine

C21H29N7 — CID 53358071

IUPAC5-[6-(4-aminopiperidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCNc1ccc(-c2cnc3ccc(N4CCC(N)CC4)nn23)cn1
InChIInChI=1S/C21H29N7/c1-15(2)7-10-23-19-4-3-16(13-24-19)18-14-25-20-5-6-21(26-28(18)20)27-11-8-17(22)9-12-27/h3-6,13-15,17H,7-12,22H2,1-2H3,(H,23,24)
InChIKeyWRLSFIWLUITXLE-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.18
Rot. Bonds6

About 5-[6-(4-aminopiperidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)pyridin-2-amine

5-[6-(4-aminopiperidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)pyridin-2-amine (PubChem CID 53358071) has the molecular formula C21H29N7 and a molecular weight of 379.51 g/mol. Its IUPAC name is 5-[6-(4-aminopiperidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[6-(4-aminopiperidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)pyridin-2-amine
PubChem CID53358071
Molecular FormulaC21H29N7
Molecular Weight379.51 g/mol
Exact Mass379.25
IUPAC Name5-[6-(4-aminopiperidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)pyridin-2-amine
SMILESCC(C)CCNc1ccc(-c2cnc3ccc(N4CCC(N)CC4)nn23)cn1
InChIInChI=1S/C21H29N7/c1-15(2)7-10-23-19-4-3-16(13-24-19)18-14-25-20-5-6-21(26-28(18)20)27-11-8-17(22)9-12-27/h3-6,13-15,17H,7-12,22H2,1-2H3,(H,23,24)
InChIKeyWRLSFIWLUITXLE-UHFFFAOYSA-N
XLogP3.18
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-aminopiperidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)pyridin-2-amine?
The IUPAC name of 5-[6-(4-aminopiperidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)pyridin-2-amine (CID 53358071) is 5-[6-(4-aminopiperidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-[6-(4-aminopiperidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)pyridin-2-amine?
The canonical SMILES for 5-[6-(4-aminopiperidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)pyridin-2-amine is CC(C)CCNc1ccc(-c2cnc3ccc(N4CCC(N)CC4)nn23)cn1.
What is the InChIKey of 5-[6-(4-aminopiperidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)pyridin-2-amine?
The InChIKey is WRLSFIWLUITXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7/c1-15(2)7-10-23-19-4-3-16(13-24-19)18-14-25-20-5-6-21(26-28(18)20)27-11-8-17(22)9-12-27/h3-6,13-15,17H,7-12,22H2,1-2H3,(H,23,24).
What are the key properties of 5-[6-(4-aminopiperidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)pyridin-2-amine?
5-[6-(4-aminopiperidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)pyridin-2-amine has a molecular weight of 379.51 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-aminopiperidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-N-(3-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 53358071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).