N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-pyridin-3-ylimidazo[1,2-b]pyridazin-8-amine

C21H21N7 — CID 71526534

IUPACN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-pyridin-3-ylimidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccnc3)nn3ccnc23)n1
InChIInChI=1S/C21H21N7/c1-15-5-4-11-27(15)20-8-2-7-19(25-20)24-18-13-17(16-6-3-9-22-14-16)26-28-12-10-23-21(18)28/h2-3,6-10,12-15H,4-5,11H2,1H3,(H,24,25)
InChIKeyJQEBBDIEGDIYOA-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.92
Rot. Bonds4

About N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-pyridin-3-ylimidazo[1,2-b]pyridazin-8-amine

N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-pyridin-3-ylimidazo[1,2-b]pyridazin-8-amine (PubChem CID 71526534) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-pyridin-3-ylimidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-pyridin-3-ylimidazo[1,2-b]pyridazin-8-amine
PubChem CID71526534
Molecular FormulaC21H21N7
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC NameN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-pyridin-3-ylimidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccnc3)nn3ccnc23)n1
InChIInChI=1S/C21H21N7/c1-15-5-4-11-27(15)20-8-2-7-19(25-20)24-18-13-17(16-6-3-9-22-14-16)26-28-12-10-23-21(18)28/h2-3,6-10,12-15H,4-5,11H2,1H3,(H,24,25)
InChIKeyJQEBBDIEGDIYOA-UHFFFAOYSA-N
XLogP3.92
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-pyridin-3-ylimidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-pyridin-3-ylimidazo[1,2-b]pyridazin-8-amine (CID 71526534) is N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-pyridin-3-ylimidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-pyridin-3-ylimidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-pyridin-3-ylimidazo[1,2-b]pyridazin-8-amine is CC1CCCN1c1cccc(Nc2cc(-c3cccnc3)nn3ccnc23)n1.
What is the InChIKey of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-pyridin-3-ylimidazo[1,2-b]pyridazin-8-amine?
The InChIKey is JQEBBDIEGDIYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7/c1-15-5-4-11-27(15)20-8-2-7-19(25-20)24-18-13-17(16-6-3-9-22-14-16)26-28-12-10-23-21(18)28/h2-3,6-10,12-15H,4-5,11H2,1H3,(H,24,25).
What are the key properties of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-pyridin-3-ylimidazo[1,2-b]pyridazin-8-amine?
N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-pyridin-3-ylimidazo[1,2-b]pyridazin-8-amine has a molecular weight of 371.45 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-pyridin-3-ylimidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71526534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).