3-[(3-fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine

C23H29FN6O — CID 121426224

IUPAC3-[(3-fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
SMILESCc1nc2c(N)cc(N3CCOCC3)nn2c1Cc1cccc(F)c1C1CCNCC1
InChIInChI=1S/C23H29FN6O/c1-15-20(13-17-3-2-4-18(24)22(17)16-5-7-26-8-6-16)30-23(27-15)19(25)14-21(28-30)29-9-11-31-12-10-29/h2-4,14,16,26H,5-13,25H2,1H3
InChIKeyQIDVCXQDTQASFN-UHFFFAOYSA-N
MW424.52 g/mol
LogP2.65
Rot. Bonds4

About 3-[(3-fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine

3-[(3-fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine (PubChem CID 121426224) has the molecular formula C23H29FN6O and a molecular weight of 424.52 g/mol. Its IUPAC name is 3-[(3-fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name3-[(3-fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
PubChem CID121426224
Molecular FormulaC23H29FN6O
Molecular Weight424.52 g/mol
Exact Mass424.24
IUPAC Name3-[(3-fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
SMILESCc1nc2c(N)cc(N3CCOCC3)nn2c1Cc1cccc(F)c1C1CCNCC1
InChIInChI=1S/C23H29FN6O/c1-15-20(13-17-3-2-4-18(24)22(17)16-5-7-26-8-6-16)30-23(27-15)19(25)14-21(28-30)29-9-11-31-12-10-29/h2-4,14,16,26H,5-13,25H2,1H3
InChIKeyQIDVCXQDTQASFN-UHFFFAOYSA-N
XLogP2.65
TPSA80.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 3-[(3-fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine (CID 121426224) is 3-[(3-fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 3-[(3-fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 3-[(3-fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine is Cc1nc2c(N)cc(N3CCOCC3)nn2c1Cc1cccc(F)c1C1CCNCC1.
What is the InChIKey of 3-[(3-fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?
The InChIKey is QIDVCXQDTQASFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O/c1-15-20(13-17-3-2-4-18(24)22(17)16-5-7-26-8-6-16)30-23(27-15)19(25)14-21(28-30)29-9-11-31-12-10-29/h2-4,14,16,26H,5-13,25H2,1H3.
What are the key properties of 3-[(3-fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?
3-[(3-fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine has a molecular weight of 424.52 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 121426224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).