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

C28H33N7 — CID 71526357

IUPACN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(CN4CCCCC4)c3)nn3ccnc23)n1
InChIInChI=1S/C28H33N7/c1-21-8-7-16-34(21)27-12-6-11-26(31-27)30-25-19-24(32-35-17-13-29-28(25)35)23-10-5-9-22(18-23)20-33-14-3-2-4-15-33/h5-6,9-13,17-19,21H,2-4,7-8,14-16,20H2,1H3,(H,30,31)
InChIKeyHIYIMXTUZHYTNQ-UHFFFAOYSA-N
MW467.62 g/mol
LogP5.51
Rot. Bonds6

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

N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 71526357) has the molecular formula C28H33N7 and a molecular weight of 467.62 g/mol. Its IUPAC name is N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID71526357
Molecular FormulaC28H33N7
Molecular Weight467.62 g/mol
Exact Mass467.28
IUPAC NameN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(CN4CCCCC4)c3)nn3ccnc23)n1
InChIInChI=1S/C28H33N7/c1-21-8-7-16-34(21)27-12-6-11-26(31-27)30-25-19-24(32-35-17-13-29-28(25)35)23-10-5-9-22(18-23)20-33-14-3-2-4-15-33/h5-6,9-13,17-19,21H,2-4,7-8,14-16,20H2,1H3,(H,30,31)
InChIKeyHIYIMXTUZHYTNQ-UHFFFAOYSA-N
XLogP5.51
TPSA61.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.62
LogP ≤ 55.51
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-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-8-amine (CID 71526357) is N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-8-amine is CC1CCCN1c1cccc(Nc2cc(-c3cccc(CN4CCCCC4)c3)nn3ccnc23)n1.
What is the InChIKey of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is HIYIMXTUZHYTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7/c1-21-8-7-16-34(21)27-12-6-11-26(31-27)30-25-19-24(32-35-17-13-29-28(25)35)23-10-5-9-22(18-23)20-33-14-3-2-4-15-33/h5-6,9-13,17-19,21H,2-4,7-8,14-16,20H2,1H3,(H,30,31).
What are the key properties of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-8-amine?
N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 467.62 g/mol, XLogP of 5.51, 6 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-[3-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71526357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).