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

C22H23FN8 — CID 66548925

IUPACN-(3-fluoro-2-pyridinyl)-5-[6-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESCN1CCC(Cc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1
InChIInChI=1S/C22H23FN8/c1-30-9-6-15(7-10-30)11-17-4-5-20-25-14-19(31(20)29-17)16-12-26-22(27-13-16)28-21-18(23)3-2-8-24-21/h2-5,8,12-15H,6-7,9-11H2,1H3,(H,24,26,27,28)
InChIKeyVQPBKJQXLCYOIZ-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.35
Rot. Bonds5

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

N-(3-fluoro-2-pyridinyl)-5-[6-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine (PubChem CID 66548925) has the molecular formula C22H23FN8 and a molecular weight of 418.48 g/mol. Its IUPAC name is N-(3-fluoro-2-pyridinyl)-5-[6-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-2-pyridinyl)-5-[6-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
PubChem CID66548925
Molecular FormulaC22H23FN8
Molecular Weight418.48 g/mol
Exact Mass418.20
IUPAC NameN-(3-fluoro-2-pyridinyl)-5-[6-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESCN1CCC(Cc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1
InChIInChI=1S/C22H23FN8/c1-30-9-6-15(7-10-30)11-17-4-5-20-25-14-19(31(20)29-17)16-12-26-22(27-13-16)28-21-18(23)3-2-8-24-21/h2-5,8,12-15H,6-7,9-11H2,1H3,(H,24,26,27,28)
InChIKeyVQPBKJQXLCYOIZ-UHFFFAOYSA-N
XLogP3.35
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-pyridinyl)-5-[6-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(3-fluoro-2-pyridinyl)-5-[6-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine (CID 66548925) is N-(3-fluoro-2-pyridinyl)-5-[6-[(1-methylpiperidin-4-yl)methyl]imidazo[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)methyl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(3-fluoro-2-pyridinyl)-5-[6-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine is CN1CCC(Cc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1.
What is the InChIKey of N-(3-fluoro-2-pyridinyl)-5-[6-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
The InChIKey is VQPBKJQXLCYOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN8/c1-30-9-6-15(7-10-30)11-17-4-5-20-25-14-19(31(20)29-17)16-12-26-22(27-13-16)28-21-18(23)3-2-8-24-21/h2-5,8,12-15H,6-7,9-11H2,1H3,(H,24,26,27,28).
What are the key properties of N-(3-fluoro-2-pyridinyl)-5-[6-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
N-(3-fluoro-2-pyridinyl)-5-[6-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine has a molecular weight of 418.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-pyridinyl)-5-[6-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 66548925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).