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

C24H22F2N6O2 — CID 58303338

IUPACbenzyl 4,4-difluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(F)(F)C(Nc2cncc(-c3cnc4ccccn34)n2)C1
InChIInChI=1S/C24H22F2N6O2/c25-24(26)9-11-31(23(33)34-16-17-6-2-1-3-7-17)15-20(24)30-21-14-27-12-18(29-21)19-13-28-22-8-4-5-10-32(19)22/h1-8,10,12-14,20H,9,11,15-16H2,(H,29,30)
InChIKeyRIOGQBYJIDJSFX-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.25
Rot. Bonds5

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

benzyl 4,4-difluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 58303338) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is benzyl 4,4-difluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4,4-difluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
PubChem CID58303338
Molecular FormulaC24H22F2N6O2
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC Namebenzyl 4,4-difluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(F)(F)C(Nc2cncc(-c3cnc4ccccn34)n2)C1
InChIInChI=1S/C24H22F2N6O2/c25-24(26)9-11-31(23(33)34-16-17-6-2-1-3-7-17)15-20(24)30-21-14-27-12-18(29-21)19-13-28-22-8-4-5-10-32(19)22/h1-8,10,12-14,20H,9,11,15-16H2,(H,29,30)
InChIKeyRIOGQBYJIDJSFX-UHFFFAOYSA-N
XLogP4.25
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of benzyl 4,4-difluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of benzyl 4,4-difluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate (CID 58303338) is benzyl 4,4-difluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4,4-difluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4,4-difluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(F)(F)C(Nc2cncc(-c3cnc4ccccn34)n2)C1.
What is the InChIKey of benzyl 4,4-difluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is RIOGQBYJIDJSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c25-24(26)9-11-31(23(33)34-16-17-6-2-1-3-7-17)15-20(24)30-21-14-27-12-18(29-21)19-13-28-22-8-4-5-10-32(19)22/h1-8,10,12-14,20H,9,11,15-16H2,(H,29,30).
What are the key properties of benzyl 4,4-difluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
benzyl 4,4-difluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 464.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4,4-difluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 58303338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).