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

C22H25FN10 — CID 66551307

IUPAC3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCN1CCN(CCNc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1
InChIInChI=1S/C22H25FN10/c1-31-9-11-32(12-10-31)8-7-24-19-4-5-20-26-15-18(33(20)30-19)16-13-27-22(28-14-16)29-21-17(23)3-2-6-25-21/h2-6,13-15H,7-12H2,1H3,(H,24,30)(H,25,27,28,29)
InChIKeyFOKYQBPPTCMXFQ-UHFFFAOYSA-N
MW448.51 g/mol
LogP2.12
Rot. Bonds7

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

3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 66551307) has the molecular formula C22H25FN10 and a molecular weight of 448.51 g/mol. Its IUPAC name is 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID66551307
Molecular FormulaC22H25FN10
Molecular Weight448.51 g/mol
Exact Mass448.22
IUPAC Name3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCN1CCN(CCNc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1
InChIInChI=1S/C22H25FN10/c1-31-9-11-32(12-10-31)8-7-24-19-4-5-20-26-15-18(33(20)30-19)16-13-27-22(28-14-16)29-21-17(23)3-2-6-25-21/h2-6,13-15H,7-12H2,1H3,(H,24,30)(H,25,27,28,29)
InChIKeyFOKYQBPPTCMXFQ-UHFFFAOYSA-N
XLogP2.12
TPSA99.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine (CID 66551307) is 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine is CN1CCN(CCNc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1.
What is the InChIKey of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is FOKYQBPPTCMXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN10/c1-31-9-11-32(12-10-31)8-7-24-19-4-5-20-26-15-18(33(20)30-19)16-13-27-22(28-14-16)29-21-17(23)3-2-6-25-21/h2-6,13-15H,7-12H2,1H3,(H,24,30)(H,25,27,28,29).
What are the key properties of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine?
3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 448.51 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 66551307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).