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

C28H34N8O — CID 71525359

IUPACN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperazin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(OCCN4CCNCC4)c3)nn3ccnc23)n1
InChIInChI=1S/C28H34N8O/c1-21-5-4-13-35(21)27-9-3-8-26(32-27)31-25-20-24(33-36-16-12-30-28(25)36)22-6-2-7-23(19-22)37-18-17-34-14-10-29-11-15-34/h2-3,6-9,12,16,19-21,29H,4-5,10-11,13-15,17-18H2,1H3,(H,31,32)
InChIKeyFIYJMYMJNRRKBA-UHFFFAOYSA-N
MW498.64 g/mol
LogP3.81
Rot. Bonds8

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

N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperazin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 71525359) has the molecular formula C28H34N8O and a molecular weight of 498.64 g/mol. Its IUPAC name is N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperazin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperazin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID71525359
Molecular FormulaC28H34N8O
Molecular Weight498.64 g/mol
Exact Mass498.29
IUPAC NameN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperazin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(OCCN4CCNCC4)c3)nn3ccnc23)n1
InChIInChI=1S/C28H34N8O/c1-21-5-4-13-35(21)27-9-3-8-26(32-27)31-25-20-24(33-36-16-12-30-28(25)36)22-6-2-7-23(19-22)37-18-17-34-14-10-29-11-15-34/h2-3,6-9,12,16,19-21,29H,4-5,10-11,13-15,17-18H2,1H3,(H,31,32)
InChIKeyFIYJMYMJNRRKBA-UHFFFAOYSA-N
XLogP3.81
TPSA82.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.64
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperazin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperazin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine (CID 71525359) is N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperazin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperazin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperazin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine is CC1CCCN1c1cccc(Nc2cc(-c3cccc(OCCN4CCNCC4)c3)nn3ccnc23)n1.
What is the InChIKey of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperazin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is FIYJMYMJNRRKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O/c1-21-5-4-13-35(21)27-9-3-8-26(32-27)31-25-20-24(33-36-16-12-30-28(25)36)22-6-2-7-23(19-22)37-18-17-34-14-10-29-11-15-34/h2-3,6-9,12,16,19-21,29H,4-5,10-11,13-15,17-18H2,1H3,(H,31,32).
What are the key properties of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperazin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?
N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperazin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 498.64 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperazin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71525359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).