N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine

C16H15F3N6 — CID 164537288

IUPACN-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
SMILESFC(F)(F)c1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2n1
InChIInChI=1S/C16H15F3N6/c17-16(18,19)13-4-5-15-21-9-12(25(15)24-13)11-2-1-3-14(23-11)22-10-6-7-20-8-10/h1-5,9-10,20H,6-8H2,(H,22,23)
InChIKeySQCQKTYIKPGWKA-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.58
Rot. Bonds3

About N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine

N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine (PubChem CID 164537288) has the molecular formula C16H15F3N6 and a molecular weight of 348.33 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
PubChem CID164537288
Molecular FormulaC16H15F3N6
Molecular Weight348.33 g/mol
Exact Mass348.13
IUPAC NameN-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
SMILESFC(F)(F)c1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2n1
InChIInChI=1S/C16H15F3N6/c17-16(18,19)13-4-5-15-21-9-12(25(15)24-13)11-2-1-3-14(23-11)22-10-6-7-20-8-10/h1-5,9-10,20H,6-8H2,(H,22,23)
InChIKeySQCQKTYIKPGWKA-UHFFFAOYSA-N
XLogP2.58
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The IUPAC name of N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine (CID 164537288) is N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The canonical SMILES for N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine is FC(F)(F)c1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2n1.
What is the InChIKey of N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The InChIKey is SQCQKTYIKPGWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6/c17-16(18,19)13-4-5-15-21-9-12(25(15)24-13)11-2-1-3-14(23-11)22-10-6-7-20-8-10/h1-5,9-10,20H,6-8H2,(H,22,23).
What are the key properties of N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine has a molecular weight of 348.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine is sourced from PubChem (CID 164537288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).