N-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine

C17H15N5S — CID 58857796

IUPACN-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine
SMILESc1cncc(CCNc2ccc3ncc(-c4ccsc4)n3n2)c1
InChIInChI=1S/C17H15N5S/c1-2-13(10-18-7-1)5-8-19-16-3-4-17-20-11-15(22(17)21-16)14-6-9-23-12-14/h1-4,6-7,9-12H,5,8H2,(H,19,21)
InChIKeyKFVXMVURZYLEQD-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.51
Rot. Bonds5

About N-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine

N-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857796) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID58857796
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC NameN-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine
SMILESc1cncc(CCNc2ccc3ncc(-c4ccsc4)n3n2)c1
InChIInChI=1S/C17H15N5S/c1-2-13(10-18-7-1)5-8-19-16-3-4-17-20-11-15(22(17)21-16)14-6-9-23-12-14/h1-4,6-7,9-12H,5,8H2,(H,19,21)
InChIKeyKFVXMVURZYLEQD-UHFFFAOYSA-N
XLogP3.51
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857590
6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282431
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 44580233
3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 157462785
N-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488143
6-ethyl-3-thiophen-3-ylimidazo[1,2-b]pyridazine
CID 123295376
6-(4,4-dimethylpentyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazine
CID 71154376
6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282051
N-(2-pyridin-3-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60732313
3-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857576
3-(3-fluorophenyl)-6-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine
CID 173083961
N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 59453652

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine (CID 58857796) is N-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine is c1cncc(CCNc2ccc3ncc(-c4ccsc4)n3n2)c1.
What is the InChIKey of N-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is KFVXMVURZYLEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-2-13(10-18-7-1)5-8-19-16-3-4-17-20-11-15(22(17)21-16)14-6-9-23-12-14/h1-4,6-7,9-12H,5,8H2,(H,19,21).
What are the key properties of N-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine?
N-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 321.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).