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

C16H17N5OS — CID 67123066

IUPACN-[(1S,2R)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
SMILESN[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2cnc3cccnn23)cs1
InChIInChI=1S/C16H17N5OS/c17-11-3-1-4-12(11)20-16(22)14-7-10(9-23-14)13-8-18-15-5-2-6-19-21(13)15/h2,5-9,11-12H,1,3-4,17H2,(H,20,22)/t11-,12+/m1/s1
InChIKeyPJECXCOZLNPKPA-NEPJUHHUSA-N
MW327.41 g/mol
LogP2.07
Rot. Bonds3

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

N-[(1S,2R)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide (PubChem CID 67123066) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[(1S,2R)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
PubChem CID67123066
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-[(1S,2R)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide
SMILESN[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2cnc3cccnn23)cs1
InChIInChI=1S/C16H17N5OS/c17-11-3-1-4-12(11)20-16(22)14-7-10(9-23-14)13-8-18-15-5-2-6-19-21(13)15/h2,5-9,11-12H,1,3-4,17H2,(H,20,22)/t11-,12+/m1/s1
InChIKeyPJECXCOZLNPKPA-NEPJUHHUSA-N
XLogP2.07
TPSA85.31 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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide?
The IUPAC name of N-[(1S,2R)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide (CID 67123066) is N-[(1S,2R)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide is N[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2cnc3cccnn23)cs1.
What is the InChIKey of N-[(1S,2R)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide?
The InChIKey is PJECXCOZLNPKPA-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H17N5OS/c17-11-3-1-4-12(11)20-16(22)14-7-10(9-23-14)13-8-18-15-5-2-6-19-21(13)15/h2,5-9,11-12H,1,3-4,17H2,(H,20,22)/t11-,12+/m1/s1.
What are the key properties of N-[(1S,2R)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide?
N-[(1S,2R)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-aminocyclopentyl]-4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 67123066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).