3-(1H-indol-5-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C19H15N5S — CID 58857744

IUPAC3-(1H-indol-5-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1csc(CNc2ccc3ncc(-c4ccc5[nH]ccc5c4)n3n2)c1
InChIInChI=1S/C19H15N5S/c1-2-15(25-9-1)11-21-18-5-6-19-22-12-17(24(19)23-18)14-3-4-16-13(10-14)7-8-20-16/h1-10,12,20H,11H2,(H,21,23)
InChIKeyVBPAJBQJZXEFJD-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.55
Rot. Bonds4

About 3-(1H-indol-5-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

3-(1H-indol-5-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857744) has the molecular formula C19H15N5S and a molecular weight of 345.43 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID58857744
Molecular FormulaC19H15N5S
Molecular Weight345.43 g/mol
Exact Mass345.10
IUPAC Name3-(1H-indol-5-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1csc(CNc2ccc3ncc(-c4ccc5[nH]ccc5c4)n3n2)c1
InChIInChI=1S/C19H15N5S/c1-2-15(25-9-1)11-21-18-5-6-19-22-12-17(24(19)23-18)14-3-4-16-13(10-14)7-8-20-16/h1-10,12,20H,11H2,(H,21,23)
InChIKeyVBPAJBQJZXEFJD-UHFFFAOYSA-N
XLogP4.55
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(1H-indol-5-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 58857744) is 3-(1H-indol-5-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(1H-indol-5-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(1H-indol-5-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is c1csc(CNc2ccc3ncc(-c4ccc5[nH]ccc5c4)n3n2)c1.
What is the InChIKey of 3-(1H-indol-5-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is VBPAJBQJZXEFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5S/c1-2-15(25-9-1)11-21-18-5-6-19-22-12-17(24(19)23-18)14-3-4-16-13(10-14)7-8-20-16/h1-10,12,20H,11H2,(H,21,23).
What are the key properties of 3-(1H-indol-5-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(1H-indol-5-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 345.43 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).