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

C29H35N7O — CID 71526620

IUPACN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(OCCN4CCCCC4)c3)nn3ccnc23)n1
InChIInChI=1S/C29H35N7O/c1-22-8-7-16-35(22)28-12-6-11-27(32-28)31-26-21-25(33-36-17-13-30-29(26)36)23-9-5-10-24(20-23)37-19-18-34-14-3-2-4-15-34/h5-6,9-13,17,20-22H,2-4,7-8,14-16,18-19H2,1H3,(H,31,32)
InChIKeyOLTFCIWJCMNFOJ-UHFFFAOYSA-N
MW497.65 g/mol
LogP5.39
Rot. Bonds8

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

N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 71526620) has the molecular formula C29H35N7O and a molecular weight of 497.65 g/mol. Its IUPAC name is N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID71526620
Molecular FormulaC29H35N7O
Molecular Weight497.65 g/mol
Exact Mass497.29
IUPAC NameN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(OCCN4CCCCC4)c3)nn3ccnc23)n1
InChIInChI=1S/C29H35N7O/c1-22-8-7-16-35(22)28-12-6-11-27(32-28)31-26-21-25(33-36-17-13-30-29(26)36)23-9-5-10-24(20-23)37-19-18-34-14-3-2-4-15-34/h5-6,9-13,17,20-22H,2-4,7-8,14-16,18-19H2,1H3,(H,31,32)
InChIKeyOLTFCIWJCMNFOJ-UHFFFAOYSA-N
XLogP5.39
TPSA70.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.65
LogP ≤ 55.39
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-[3-(2-piperidin-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-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine (CID 71526620) is N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperidin-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-piperidin-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-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine is CC1CCCN1c1cccc(Nc2cc(-c3cccc(OCCN4CCCCC4)c3)nn3ccnc23)n1.
What is the InChIKey of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is OLTFCIWJCMNFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O/c1-22-8-7-16-35(22)28-12-6-11-27(32-28)31-26-21-25(33-36-17-13-30-29(26)36)23-9-5-10-24(20-23)37-19-18-34-14-3-2-4-15-34/h5-6,9-13,17,20-22H,2-4,7-8,14-16,18-19H2,1H3,(H,31,32).
What are the key properties of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?
N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 497.65 g/mol, XLogP of 5.39, 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-[3-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71526620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).