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

C28H33N7O — CID 71526617

IUPACN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3ccc(OCCN4CCCC4)cc3)nn3ccnc23)n1
InChIInChI=1S/C28H33N7O/c1-21-6-5-16-34(21)27-8-4-7-26(31-27)30-25-20-24(32-35-17-13-29-28(25)35)22-9-11-23(12-10-22)36-19-18-33-14-2-3-15-33/h4,7-13,17,20-21H,2-3,5-6,14-16,18-19H2,1H3,(H,30,31)
InChIKeyPRJDCCLEOAGUKT-UHFFFAOYSA-N
MW483.62 g/mol
LogP5.00
Rot. Bonds8

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

N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 71526617) has the molecular formula C28H33N7O and a molecular weight of 483.62 g/mol. Its IUPAC name is N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID71526617
Molecular FormulaC28H33N7O
Molecular Weight483.62 g/mol
Exact Mass483.27
IUPAC NameN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3ccc(OCCN4CCCC4)cc3)nn3ccnc23)n1
InChIInChI=1S/C28H33N7O/c1-21-6-5-16-34(21)27-8-4-7-26(31-27)30-25-20-24(32-35-17-13-29-28(25)35)22-9-11-23(12-10-22)36-19-18-33-14-2-3-15-33/h4,7-13,17,20-21H,2-3,5-6,14-16,18-19H2,1H3,(H,30,31)
InChIKeyPRJDCCLEOAGUKT-UHFFFAOYSA-N
XLogP5.00
TPSA70.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine (CID 71526617) is N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-pyrrolidin-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-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine is CC1CCCN1c1cccc(Nc2cc(-c3ccc(OCCN4CCCC4)cc3)nn3ccnc23)n1.
What is the InChIKey of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is PRJDCCLEOAGUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O/c1-21-6-5-16-34(21)27-8-4-7-26(31-27)30-25-20-24(32-35-17-13-29-28(25)35)22-9-11-23(12-10-22)36-19-18-33-14-2-3-15-33/h4,7-13,17,20-21H,2-3,5-6,14-16,18-19H2,1H3,(H,30,31).
What are the key properties of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?
N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 483.62 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71526617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).