benzyl (3S,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate

C24H23FN6O2 — CID 58303320

IUPACbenzyl (3S,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@H](F)[C@@H](Nc2cncc(-c3cnc4ccccn34)n2)C1
InChIInChI=1S/C24H23FN6O2/c25-18-9-11-30(24(32)33-16-17-6-2-1-3-7-17)15-20(18)29-22-14-26-12-19(28-22)21-13-27-23-8-4-5-10-31(21)23/h1-8,10,12-14,18,20H,9,11,15-16H2,(H,28,29)/t18-,20+/m1/s1
InChIKeyHLQMMMKLLNPNGD-QUCCMNQESA-N
MW446.49 g/mol
LogP3.95
Rot. Bonds5

About benzyl (3S,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate

benzyl (3S,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 58303320) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is benzyl (3S,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3S,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
PubChem CID58303320
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Namebenzyl (3S,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@H](F)[C@@H](Nc2cncc(-c3cnc4ccccn34)n2)C1
InChIInChI=1S/C24H23FN6O2/c25-18-9-11-30(24(32)33-16-17-6-2-1-3-7-17)15-20(18)29-22-14-26-12-19(28-22)21-13-27-23-8-4-5-10-31(21)23/h1-8,10,12-14,18,20H,9,11,15-16H2,(H,28,29)/t18-,20+/m1/s1
InChIKeyHLQMMMKLLNPNGD-QUCCMNQESA-N
XLogP3.95
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze benzyl (3S,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate 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 benzyl (3S,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of benzyl (3S,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate (CID 58303320) is benzyl (3S,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for benzyl (3S,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for benzyl (3S,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CC[C@@H](F)[C@@H](Nc2cncc(-c3cnc4ccccn34)n2)C1.
What is the InChIKey of benzyl (3S,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is HLQMMMKLLNPNGD-QUCCMNQESA-N. The full InChI is InChI=1S/C24H23FN6O2/c25-18-9-11-30(24(32)33-16-17-6-2-1-3-7-17)15-20(18)29-22-14-26-12-19(28-22)21-13-27-23-8-4-5-10-31(21)23/h1-8,10,12-14,18,20H,9,11,15-16H2,(H,28,29)/t18-,20+/m1/s1.
What are the key properties of benzyl (3S,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
benzyl (3S,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 446.49 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 58303320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).