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

C21H22FN9 — CID 66550907

IUPAC3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1
InChIInChI=1S/C21H22FN9/c1-30-9-6-15(7-10-30)27-18-4-5-19-24-13-17(31(19)29-18)14-11-25-21(26-12-14)28-20-16(22)3-2-8-23-20/h2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,27,29)(H,23,25,26,28)
InChIKeyNUSGNSWNFVVVGS-UHFFFAOYSA-N
MW419.47 g/mol
LogP2.97
Rot. Bonds5

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

3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 66550907) has the molecular formula C21H22FN9 and a molecular weight of 419.47 g/mol. Its IUPAC name is 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID66550907
Molecular FormulaC21H22FN9
Molecular Weight419.47 g/mol
Exact Mass419.20
IUPAC Name3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCN1CCC(Nc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1
InChIInChI=1S/C21H22FN9/c1-30-9-6-15(7-10-30)27-18-4-5-19-24-13-17(31(19)29-18)14-11-25-21(26-12-14)28-20-16(22)3-2-8-23-20/h2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,27,29)(H,23,25,26,28)
InChIKeyNUSGNSWNFVVVGS-UHFFFAOYSA-N
XLogP2.97
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 66550907) is 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine is CN1CCC(Nc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1.
What is the InChIKey of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is NUSGNSWNFVVVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN9/c1-30-9-6-15(7-10-30)27-18-4-5-19-24-13-17(31(19)29-18)14-11-25-21(26-12-14)28-20-16(22)3-2-8-23-20/h2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,27,29)(H,23,25,26,28).
What are the key properties of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 419.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 66550907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).