3-methyl-6-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)imidazo[1,2-b]pyridazin-8-amine

C26H25N5 — CID 165061911

IUPAC3-methyl-6-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)imidazo[1,2-b]pyridazin-8-amine
SMILESCc1cncc(-c2cc(NC3CCC4=C(C3)c3ccccc3C4)c3ncc(C)n3n2)c1
InChIInChI=1S/C26H25N5/c1-16-9-20(15-27-13-16)24-12-25(26-28-14-17(2)31(26)30-24)29-21-8-7-19-10-18-5-3-4-6-22(18)23(19)11-21/h3-6,9,12-15,21,29H,7-8,10-11H2,1-2H3
InChIKeyMACALAXCOUTZCH-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.38
Rot. Bonds3

About 3-methyl-6-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)imidazo[1,2-b]pyridazin-8-amine

3-methyl-6-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 165061911) has the molecular formula C26H25N5 and a molecular weight of 407.52 g/mol. Its IUPAC name is 3-methyl-6-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name3-methyl-6-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID165061911
Molecular FormulaC26H25N5
Molecular Weight407.52 g/mol
Exact Mass407.21
IUPAC Name3-methyl-6-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)imidazo[1,2-b]pyridazin-8-amine
SMILESCc1cncc(-c2cc(NC3CCC4=C(C3)c3ccccc3C4)c3ncc(C)n3n2)c1
InChIInChI=1S/C26H25N5/c1-16-9-20(15-27-13-16)24-12-25(26-28-14-17(2)31(26)30-24)29-21-8-7-19-10-18-5-3-4-6-22(18)23(19)11-21/h3-6,9,12-15,21,29H,7-8,10-11H2,1-2H3
InChIKeyMACALAXCOUTZCH-UHFFFAOYSA-N
XLogP5.38
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 3-methyl-6-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)imidazo[1,2-b]pyridazin-8-amine (CID 165061911) is 3-methyl-6-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 3-methyl-6-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 3-methyl-6-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)imidazo[1,2-b]pyridazin-8-amine is Cc1cncc(-c2cc(NC3CCC4=C(C3)c3ccccc3C4)c3ncc(C)n3n2)c1.
What is the InChIKey of 3-methyl-6-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is MACALAXCOUTZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5/c1-16-9-20(15-27-13-16)24-12-25(26-28-14-17(2)31(26)30-24)29-21-8-7-19-10-18-5-3-4-6-22(18)23(19)11-21/h3-6,9,12-15,21,29H,7-8,10-11H2,1-2H3.
What are the key properties of 3-methyl-6-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)imidazo[1,2-b]pyridazin-8-amine?
3-methyl-6-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 407.52 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(5-methyl-3-pyridinyl)-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 165061911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).