N-(3-fluoro-2-pyridinyl)-5-[6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine

C21H21FN8O — CID 66551309

IUPACN-(3-fluoro-2-pyridinyl)-5-[6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESCN1CCC(Oc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1
InChIInChI=1S/C21H21FN8O/c1-29-9-6-15(7-10-29)31-19-5-4-18-24-13-17(30(18)28-19)14-11-25-21(26-12-14)27-20-16(22)3-2-8-23-20/h2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,23,25,26,27)
InChIKeyJQHYJLKEPNQOSJ-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.94
Rot. Bonds5

About N-(3-fluoro-2-pyridinyl)-5-[6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine

N-(3-fluoro-2-pyridinyl)-5-[6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine (PubChem CID 66551309) has the molecular formula C21H21FN8O and a molecular weight of 420.45 g/mol. Its IUPAC name is N-(3-fluoro-2-pyridinyl)-5-[6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-2-pyridinyl)-5-[6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
PubChem CID66551309
Molecular FormulaC21H21FN8O
Molecular Weight420.45 g/mol
Exact Mass420.18
IUPAC NameN-(3-fluoro-2-pyridinyl)-5-[6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESCN1CCC(Oc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1
InChIInChI=1S/C21H21FN8O/c1-29-9-6-15(7-10-29)31-19-5-4-18-24-13-17(30(18)28-19)14-11-25-21(26-12-14)27-20-16(22)3-2-8-23-20/h2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,23,25,26,27)
InChIKeyJQHYJLKEPNQOSJ-UHFFFAOYSA-N
XLogP2.94
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-pyridinyl)-5-[6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(3-fluoro-2-pyridinyl)-5-[6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine (CID 66551309) is N-(3-fluoro-2-pyridinyl)-5-[6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(3-fluoro-2-pyridinyl)-5-[6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(3-fluoro-2-pyridinyl)-5-[6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine is CN1CCC(Oc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1.
What is the InChIKey of N-(3-fluoro-2-pyridinyl)-5-[6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
The InChIKey is JQHYJLKEPNQOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN8O/c1-29-9-6-15(7-10-29)31-19-5-4-18-24-13-17(30(18)28-19)14-11-25-21(26-12-14)27-20-16(22)3-2-8-23-20/h2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,23,25,26,27).
What are the key properties of N-(3-fluoro-2-pyridinyl)-5-[6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
N-(3-fluoro-2-pyridinyl)-5-[6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine has a molecular weight of 420.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-pyridinyl)-5-[6-(1-methylpiperidin-4-yl)oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 66551309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).