3-[(1S,2S)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide

C16H17N5OS — CID 140573942

IUPAC3-[(1S,2S)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
SMILESNC(=O)c1scc(-c2cnc3cccnn23)c1[C@@H]1CCC[C@@H]1N
InChIInChI=1S/C16H17N5OS/c17-11-4-1-3-9(11)14-10(8-23-15(14)16(18)22)12-7-19-13-5-2-6-20-21(12)13/h2,5-9,11H,1,3-4,17H2,(H2,18,22)/t9-,11+/m1/s1
InChIKeyUZWUENXJRQAJKC-KOLCDFICSA-N
MW327.41 g/mol
LogP2.15
Rot. Bonds3

About 3-[(1S,2S)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide

3-[(1S,2S)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide (PubChem CID 140573942) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-[(1S,2S)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(1S,2S)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
PubChem CID140573942
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name3-[(1S,2S)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
SMILESNC(=O)c1scc(-c2cnc3cccnn23)c1[C@@H]1CCC[C@@H]1N
InChIInChI=1S/C16H17N5OS/c17-11-4-1-3-9(11)14-10(8-23-15(14)16(18)22)12-7-19-13-5-2-6-20-21(12)13/h2,5-9,11H,1,3-4,17H2,(H2,18,22)/t9-,11+/m1/s1
InChIKeyUZWUENXJRQAJKC-KOLCDFICSA-N
XLogP2.15
TPSA99.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(1S,2S)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide?
The IUPAC name of 3-[(1S,2S)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide (CID 140573942) is 3-[(1S,2S)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-[(1S,2S)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 3-[(1S,2S)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide is NC(=O)c1scc(-c2cnc3cccnn23)c1[C@@H]1CCC[C@@H]1N.
What is the InChIKey of 3-[(1S,2S)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide?
The InChIKey is UZWUENXJRQAJKC-KOLCDFICSA-N. The full InChI is InChI=1S/C16H17N5OS/c17-11-4-1-3-9(11)14-10(8-23-15(14)16(18)22)12-7-19-13-5-2-6-20-21(12)13/h2,5-9,11H,1,3-4,17H2,(H2,18,22)/t9-,11+/m1/s1.
What are the key properties of 3-[(1S,2S)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide?
3-[(1S,2S)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 140573942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).