N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-b]pyridazin-8-amine

C26H28N6 — CID 147738894

IUPACN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3ccc4c(c3)CCCC4)nn3ccnc23)n1
InChIInChI=1S/C26H28N6/c1-18-6-5-14-31(18)25-10-4-9-24(29-25)28-23-17-22(30-32-15-13-27-26(23)32)21-12-11-19-7-2-3-8-20(19)16-21/h4,9-13,15-18H,2-3,5-8,14H2,1H3,(H,28,29)
InChIKeyGZXVOHRBFKLFPS-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.40
Rot. Bonds4

About N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-b]pyridazin-8-amine

N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 147738894) has the molecular formula C26H28N6 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID147738894
Molecular FormulaC26H28N6
Molecular Weight424.55 g/mol
Exact Mass424.24
IUPAC NameN-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3ccc4c(c3)CCCC4)nn3ccnc23)n1
InChIInChI=1S/C26H28N6/c1-18-6-5-14-31(18)25-10-4-9-24(29-25)28-23-17-22(30-32-15-13-27-26(23)32)21-12-11-19-7-2-3-8-20(19)16-21/h4,9-13,15-18H,2-3,5-8,14H2,1H3,(H,28,29)
InChIKeyGZXVOHRBFKLFPS-UHFFFAOYSA-N
XLogP5.40
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-b]pyridazin-8-amine (CID 147738894) is N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-b]pyridazin-8-amine is CC1CCCN1c1cccc(Nc2cc(-c3ccc4c(c3)CCCC4)nn3ccnc23)n1.
What is the InChIKey of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is GZXVOHRBFKLFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6/c1-18-6-5-14-31(18)25-10-4-9-24(29-25)28-23-17-22(30-32-15-13-27-26(23)32)21-12-11-19-7-2-3-8-20(19)16-21/h4,9-13,15-18H,2-3,5-8,14H2,1H3,(H,28,29).
What are the key properties of N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-b]pyridazin-8-amine?
N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 424.55 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 147738894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).