N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine

C28H33N7O2 — CID 71526700

IUPACN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3ccc(OCCN4CCOCC4)cc3)nn3ccnc23)n1
InChIInChI=1S/C28H33N7O2/c1-21-4-3-12-34(21)27-6-2-5-26(31-27)30-25-20-24(32-35-13-11-29-28(25)35)22-7-9-23(10-8-22)37-19-16-33-14-17-36-18-15-33/h2,5-11,13,20-21H,3-4,12,14-19H2,1H3,(H,30,31)
InChIKeyMMOCXKQQLPJZMS-UHFFFAOYSA-N
MW499.62 g/mol
LogP4.23
Rot. Bonds8

About N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine

N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 71526700) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID71526700
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC NameN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3ccc(OCCN4CCOCC4)cc3)nn3ccnc23)n1
InChIInChI=1S/C28H33N7O2/c1-21-4-3-12-34(21)27-6-2-5-26(31-27)30-25-20-24(32-35-13-11-29-28(25)35)22-7-9-23(10-8-22)37-19-16-33-14-17-36-18-15-33/h2,5-11,13,20-21H,3-4,12,14-19H2,1H3,(H,30,31)
InChIKeyMMOCXKQQLPJZMS-UHFFFAOYSA-N
XLogP4.23
TPSA80.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 54.23
H-Bond Donors ≤ 51
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-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine (CID 71526700) is N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine is CC1CCCN1c1cccc(Nc2cc(-c3ccc(OCCN4CCOCC4)cc3)nn3ccnc23)n1.
What is the InChIKey of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is MMOCXKQQLPJZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2/c1-21-4-3-12-34(21)27-6-2-5-26(31-27)30-25-20-24(32-35-13-11-29-28(25)35)22-7-9-23(10-8-22)37-19-16-33-14-17-36-18-15-33/h2,5-11,13,20-21H,3-4,12,14-19H2,1H3,(H,30,31).
What are the key properties of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?
N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 499.62 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 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-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71526700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).