N-(3-fluoro-2-pyridinyl)-5-(6-piperazin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-2-amine

C19H18FN9 — CID 66551112

IUPACN-(3-fluoro-2-pyridinyl)-5-(6-piperazin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESFc1cccnc1Nc1ncc(-c2cnc3ccc(N4CCNCC4)nn23)cn1
InChIInChI=1S/C19H18FN9/c20-14-2-1-5-22-18(14)26-19-24-10-13(11-25-19)15-12-23-16-3-4-17(27-29(15)16)28-8-6-21-7-9-28/h1-5,10-12,21H,6-9H2,(H,22,24,25,26)
InChIKeyZMGPVFCVEANUCP-UHFFFAOYSA-N
MW391.41 g/mol
LogP1.87
Rot. Bonds4

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

N-(3-fluoro-2-pyridinyl)-5-(6-piperazin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-2-amine (PubChem CID 66551112) has the molecular formula C19H18FN9 and a molecular weight of 391.41 g/mol. Its IUPAC name is N-(3-fluoro-2-pyridinyl)-5-(6-piperazin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-2-pyridinyl)-5-(6-piperazin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-2-amine
PubChem CID66551112
Molecular FormulaC19H18FN9
Molecular Weight391.41 g/mol
Exact Mass391.17
IUPAC NameN-(3-fluoro-2-pyridinyl)-5-(6-piperazin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESFc1cccnc1Nc1ncc(-c2cnc3ccc(N4CCNCC4)nn23)cn1
InChIInChI=1S/C19H18FN9/c20-14-2-1-5-22-18(14)26-19-24-10-13(11-25-19)15-12-23-16-3-4-17(27-29(15)16)28-8-6-21-7-9-28/h1-5,10-12,21H,6-9H2,(H,22,24,25,26)
InChIKeyZMGPVFCVEANUCP-UHFFFAOYSA-N
XLogP1.87
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-pyridinyl)-5-(6-piperazin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-fluoro-2-pyridinyl)-5-(6-piperazin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-2-amine (CID 66551112) is N-(3-fluoro-2-pyridinyl)-5-(6-piperazin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-fluoro-2-pyridinyl)-5-(6-piperazin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-fluoro-2-pyridinyl)-5-(6-piperazin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-2-amine is Fc1cccnc1Nc1ncc(-c2cnc3ccc(N4CCNCC4)nn23)cn1.
What is the InChIKey of N-(3-fluoro-2-pyridinyl)-5-(6-piperazin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-2-amine?
The InChIKey is ZMGPVFCVEANUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN9/c20-14-2-1-5-22-18(14)26-19-24-10-13(11-25-19)15-12-23-16-3-4-17(27-29(15)16)28-8-6-21-7-9-28/h1-5,10-12,21H,6-9H2,(H,22,24,25,26).
What are the key properties of N-(3-fluoro-2-pyridinyl)-5-(6-piperazin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-2-amine?
N-(3-fluoro-2-pyridinyl)-5-(6-piperazin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-2-amine has a molecular weight of 391.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-pyridinyl)-5-(6-piperazin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 66551112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).