6-[3-(aminomethyl)phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine

C23H25N7 — CID 71462533

IUPAC6-[3-(aminomethyl)phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(CN)c3)nn3ccnc23)n1
InChIInChI=1S/C23H25N7/c1-16-5-4-11-29(16)22-9-3-8-21(27-22)26-20-14-19(28-30-12-10-25-23(20)30)18-7-2-6-17(13-18)15-24/h2-3,6-10,12-14,16H,4-5,11,15,24H2,1H3,(H,26,27)
InChIKeySGEVJGXOSCBSTO-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.98
Rot. Bonds5

About 6-[3-(aminomethyl)phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine

6-[3-(aminomethyl)phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 71462533) has the molecular formula C23H25N7 and a molecular weight of 399.50 g/mol. Its IUPAC name is 6-[3-(aminomethyl)phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-[3-(aminomethyl)phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID71462533
Molecular FormulaC23H25N7
Molecular Weight399.50 g/mol
Exact Mass399.22
IUPAC Name6-[3-(aminomethyl)phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(CN)c3)nn3ccnc23)n1
InChIInChI=1S/C23H25N7/c1-16-5-4-11-29(16)22-9-3-8-21(27-22)26-20-14-19(28-30-12-10-25-23(20)30)18-7-2-6-17(13-18)15-24/h2-3,6-10,12-14,16H,4-5,11,15,24H2,1H3,(H,26,27)
InChIKeySGEVJGXOSCBSTO-UHFFFAOYSA-N
XLogP3.98
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-[3-(aminomethyl)phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (CID 71462533) is 6-[3-(aminomethyl)phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-[3-(aminomethyl)phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-[3-(aminomethyl)phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is CC1CCCN1c1cccc(Nc2cc(-c3cccc(CN)c3)nn3ccnc23)n1.
What is the InChIKey of 6-[3-(aminomethyl)phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is SGEVJGXOSCBSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7/c1-16-5-4-11-29(16)22-9-3-8-21(27-22)26-20-14-19(28-30-12-10-25-23(20)30)18-7-2-6-17(13-18)15-24/h2-3,6-10,12-14,16H,4-5,11,15,24H2,1H3,(H,26,27).
What are the key properties of 6-[3-(aminomethyl)phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
6-[3-(aminomethyl)phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 399.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)phenyl]-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71462533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).