4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,2-b]pyridazin-6-ylthiophen-3-yl]-2-fluorobenzonitrile

C23H19FN6OS — CID 174166021

IUPAC4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,2-b]pyridazin-6-ylthiophen-3-yl]-2-fluorobenzonitrile
SMILESN#Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](N)C3)sc2-c2ccc3nccn3n2)cc1F
InChIInChI=1S/C23H19FN6OS/c24-18-10-14(3-4-15(18)12-25)17-11-20(23(31)29-8-1-2-16(26)13-29)32-22(17)19-5-6-21-27-7-9-30(21)28-19/h3-7,9-11,16H,1-2,8,13,26H2/t16-/m1/s1
InChIKeyUKVRZOUNKUKDHU-MRXNPFEDSA-N
MW446.51 g/mol
LogP3.70
Rot. Bonds3

About 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,2-b]pyridazin-6-ylthiophen-3-yl]-2-fluorobenzonitrile

4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,2-b]pyridazin-6-ylthiophen-3-yl]-2-fluorobenzonitrile (PubChem CID 174166021) has the molecular formula C23H19FN6OS and a molecular weight of 446.51 g/mol. Its IUPAC name is 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,2-b]pyridazin-6-ylthiophen-3-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,2-b]pyridazin-6-ylthiophen-3-yl]-2-fluorobenzonitrile
PubChem CID174166021
Molecular FormulaC23H19FN6OS
Molecular Weight446.51 g/mol
Exact Mass446.13
IUPAC Name4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,2-b]pyridazin-6-ylthiophen-3-yl]-2-fluorobenzonitrile
SMILESN#Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](N)C3)sc2-c2ccc3nccn3n2)cc1F
InChIInChI=1S/C23H19FN6OS/c24-18-10-14(3-4-15(18)12-25)17-11-20(23(31)29-8-1-2-16(26)13-29)32-22(17)19-5-6-21-27-7-9-30(21)28-19/h3-7,9-11,16H,1-2,8,13,26H2/t16-/m1/s1
InChIKeyUKVRZOUNKUKDHU-MRXNPFEDSA-N
XLogP3.70
TPSA100.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,2-b]pyridazin-6-ylthiophen-3-yl]-2-fluorobenzonitrile 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 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,2-b]pyridazin-6-ylthiophen-3-yl]-2-fluorobenzonitrile?
The IUPAC name of 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,2-b]pyridazin-6-ylthiophen-3-yl]-2-fluorobenzonitrile (CID 174166021) is 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,2-b]pyridazin-6-ylthiophen-3-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,2-b]pyridazin-6-ylthiophen-3-yl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,2-b]pyridazin-6-ylthiophen-3-yl]-2-fluorobenzonitrile is N#Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](N)C3)sc2-c2ccc3nccn3n2)cc1F.
What is the InChIKey of 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,2-b]pyridazin-6-ylthiophen-3-yl]-2-fluorobenzonitrile?
The InChIKey is UKVRZOUNKUKDHU-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H19FN6OS/c24-18-10-14(3-4-15(18)12-25)17-11-20(23(31)29-8-1-2-16(26)13-29)32-22(17)19-5-6-21-27-7-9-30(21)28-19/h3-7,9-11,16H,1-2,8,13,26H2/t16-/m1/s1.
What are the key properties of 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,2-b]pyridazin-6-ylthiophen-3-yl]-2-fluorobenzonitrile?
4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,2-b]pyridazin-6-ylthiophen-3-yl]-2-fluorobenzonitrile has a molecular weight of 446.51 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,2-b]pyridazin-6-ylthiophen-3-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 174166021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).