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

C20H20FN9 — CID 66551113

IUPACN-(3-fluoro-2-pyridinyl)-5-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESCN1CCN(c2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1
InChIInChI=1S/C20H20FN9/c1-28-7-9-29(10-8-28)18-5-4-17-23-13-16(30(17)27-18)14-11-24-20(25-12-14)26-19-15(21)3-2-6-22-19/h2-6,11-13H,7-10H2,1H3,(H,22,24,25,26)
InChIKeyRWLQLQUIWSECFE-UHFFFAOYSA-N
MW405.44 g/mol
LogP2.22
Rot. Bonds4

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

N-(3-fluoro-2-pyridinyl)-5-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine (PubChem CID 66551113) has the molecular formula C20H20FN9 and a molecular weight of 405.44 g/mol. Its IUPAC name is N-(3-fluoro-2-pyridinyl)-5-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-2-pyridinyl)-5-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
PubChem CID66551113
Molecular FormulaC20H20FN9
Molecular Weight405.44 g/mol
Exact Mass405.18
IUPAC NameN-(3-fluoro-2-pyridinyl)-5-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESCN1CCN(c2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1
InChIInChI=1S/C20H20FN9/c1-28-7-9-29(10-8-28)18-5-4-17-23-13-16(30(17)27-18)14-11-24-20(25-12-14)26-19-15(21)3-2-6-22-19/h2-6,11-13H,7-10H2,1H3,(H,22,24,25,26)
InChIKeyRWLQLQUIWSECFE-UHFFFAOYSA-N
XLogP2.22
TPSA87.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 52.22
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-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(3-fluoro-2-pyridinyl)-5-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine (CID 66551113) is N-(3-fluoro-2-pyridinyl)-5-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(3-fluoro-2-pyridinyl)-5-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(3-fluoro-2-pyridinyl)-5-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine is CN1CCN(c2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1.
What is the InChIKey of N-(3-fluoro-2-pyridinyl)-5-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
The InChIKey is RWLQLQUIWSECFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN9/c1-28-7-9-29(10-8-28)18-5-4-17-23-13-16(30(17)27-18)14-11-24-20(25-12-14)26-19-15(21)3-2-6-22-19/h2-6,11-13H,7-10H2,1H3,(H,22,24,25,26).
What are the key properties of N-(3-fluoro-2-pyridinyl)-5-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine?
N-(3-fluoro-2-pyridinyl)-5-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine has a molecular weight of 405.44 g/mol, XLogP of 2.22, 4 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-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 66551113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).