4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,5-a]pyridin-7-ylthiophen-3-yl]-2-fluorobenzonitrile

C24H20FN5OS — CID 171990543

IUPAC4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,5-a]pyridin-7-ylthiophen-3-yl]-2-fluorobenzonitrile
SMILESN#Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](N)C3)sc2-c2ccn3cncc3c2)cc1F
InChIInChI=1S/C24H20FN5OS/c25-21-9-15(3-4-17(21)11-26)20-10-22(24(31)29-6-1-2-18(27)13-29)32-23(20)16-5-7-30-14-28-12-19(30)8-16/h3-5,7-10,12,14,18H,1-2,6,13,27H2/t18-/m1/s1
InChIKeyPGISSLCAJHJSGM-GOSISDBHSA-N
MW445.52 g/mol
LogP4.30
Rot. Bonds3

About 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,5-a]pyridin-7-ylthiophen-3-yl]-2-fluorobenzonitrile

4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,5-a]pyridin-7-ylthiophen-3-yl]-2-fluorobenzonitrile (PubChem CID 171990543) has the molecular formula C24H20FN5OS and a molecular weight of 445.52 g/mol. Its IUPAC name is 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,5-a]pyridin-7-ylthiophen-3-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,5-a]pyridin-7-ylthiophen-3-yl]-2-fluorobenzonitrile
PubChem CID171990543
Molecular FormulaC24H20FN5OS
Molecular Weight445.52 g/mol
Exact Mass445.14
IUPAC Name4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,5-a]pyridin-7-ylthiophen-3-yl]-2-fluorobenzonitrile
SMILESN#Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](N)C3)sc2-c2ccn3cncc3c2)cc1F
InChIInChI=1S/C24H20FN5OS/c25-21-9-15(3-4-17(21)11-26)20-10-22(24(31)29-6-1-2-18(27)13-29)32-23(20)16-5-7-30-14-28-12-19(30)8-16/h3-5,7-10,12,14,18H,1-2,6,13,27H2/t18-/m1/s1
InChIKeyPGISSLCAJHJSGM-GOSISDBHSA-N
XLogP4.30
TPSA87.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,5-a]pyridin-7-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[1,5-a]pyridin-7-ylthiophen-3-yl]-2-fluorobenzonitrile?
The IUPAC name of 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,5-a]pyridin-7-ylthiophen-3-yl]-2-fluorobenzonitrile (CID 171990543) is 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,5-a]pyridin-7-ylthiophen-3-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,5-a]pyridin-7-ylthiophen-3-yl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,5-a]pyridin-7-ylthiophen-3-yl]-2-fluorobenzonitrile is N#Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](N)C3)sc2-c2ccn3cncc3c2)cc1F.
What is the InChIKey of 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,5-a]pyridin-7-ylthiophen-3-yl]-2-fluorobenzonitrile?
The InChIKey is PGISSLCAJHJSGM-GOSISDBHSA-N. The full InChI is InChI=1S/C24H20FN5OS/c25-21-9-15(3-4-17(21)11-26)20-10-22(24(31)29-6-1-2-18(27)13-29)32-23(20)16-5-7-30-14-28-12-19(30)8-16/h3-5,7-10,12,14,18H,1-2,6,13,27H2/t18-/m1/s1.
What are the key properties of 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,5-a]pyridin-7-ylthiophen-3-yl]-2-fluorobenzonitrile?
4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,5-a]pyridin-7-ylthiophen-3-yl]-2-fluorobenzonitrile has a molecular weight of 445.52 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3R)-3-aminopiperidine-1-carbonyl]-2-imidazo[1,5-a]pyridin-7-ylthiophen-3-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 171990543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).