3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine

C22H23FN8 — CID 66551901

IUPAC3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3ncc(-c4ccc(Nc5ncccc5F)nc4)n3n2)CC1
InChIInChI=1S/C22H23FN8/c1-30-11-8-16(9-12-30)27-20-6-7-21-26-14-18(31(21)29-20)15-4-5-19(25-13-15)28-22-17(23)3-2-10-24-22/h2-7,10,13-14,16H,8-9,11-12H2,1H3,(H,27,29)(H,24,25,28)
InChIKeyGJJVSRXRDRWYEN-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.58
Rot. Bonds5

About 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine

3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 66551901) has the molecular formula C22H23FN8 and a molecular weight of 418.48 g/mol. Its IUPAC name is 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID66551901
Molecular FormulaC22H23FN8
Molecular Weight418.48 g/mol
Exact Mass418.20
IUPAC Name3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3ncc(-c4ccc(Nc5ncccc5F)nc4)n3n2)CC1
InChIInChI=1S/C22H23FN8/c1-30-11-8-16(9-12-30)27-20-6-7-21-26-14-18(31(21)29-20)15-4-5-19(25-13-15)28-22-17(23)3-2-10-24-22/h2-7,10,13-14,16H,8-9,11-12H2,1H3,(H,27,29)(H,24,25,28)
InChIKeyGJJVSRXRDRWYEN-UHFFFAOYSA-N
XLogP3.58
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 66551901) is 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine is CN1CCC(Nc2ccc3ncc(-c4ccc(Nc5ncccc5F)nc4)n3n2)CC1.
What is the InChIKey of 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is GJJVSRXRDRWYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN8/c1-30-11-8-16(9-12-30)27-20-6-7-21-26-14-18(31(21)29-20)15-4-5-19(25-13-15)28-22-17(23)3-2-10-24-22/h2-7,10,13-14,16H,8-9,11-12H2,1H3,(H,27,29)(H,24,25,28).
What are the key properties of 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 418.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3-fluoro-2-pyridinyl)amino]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 66551901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).