benzyl (3S,4R)-4-fluoro-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate

C24H23FN6O2 — CID 67372244

IUPACbenzyl (3S,4R)-4-fluoro-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@H](F)[C@@H](Nc2cncc(-c3cnn4ccccc34)n2)C1
InChIInChI=1S/C24H23FN6O2/c25-19-9-11-30(24(32)33-16-17-6-2-1-3-7-17)15-21(19)29-23-14-26-13-20(28-23)18-12-27-31-10-5-4-8-22(18)31/h1-8,10,12-14,19,21H,9,11,15-16H2,(H,28,29)/t19-,21+/m1/s1
InChIKeyOUVRDRFQRAFKFB-CTNGQTDRSA-N
MW446.49 g/mol
LogP3.95
Rot. Bonds5

About benzyl (3S,4R)-4-fluoro-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate

benzyl (3S,4R)-4-fluoro-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 67372244) 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-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3S,4R)-4-fluoro-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
PubChem CID67372244
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Namebenzyl (3S,4R)-4-fluoro-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@H](F)[C@@H](Nc2cncc(-c3cnn4ccccc34)n2)C1
InChIInChI=1S/C24H23FN6O2/c25-19-9-11-30(24(32)33-16-17-6-2-1-3-7-17)15-21(19)29-23-14-26-13-20(28-23)18-12-27-31-10-5-4-8-22(18)31/h1-8,10,12-14,19,21H,9,11,15-16H2,(H,28,29)/t19-,21+/m1/s1
InChIKeyOUVRDRFQRAFKFB-CTNGQTDRSA-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

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Frequently Asked Questions

What is the IUPAC name of benzyl (3S,4R)-4-fluoro-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of benzyl (3S,4R)-4-fluoro-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate (CID 67372244) is benzyl (3S,4R)-4-fluoro-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for benzyl (3S,4R)-4-fluoro-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for benzyl (3S,4R)-4-fluoro-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CC[C@@H](F)[C@@H](Nc2cncc(-c3cnn4ccccc34)n2)C1.
What is the InChIKey of benzyl (3S,4R)-4-fluoro-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is OUVRDRFQRAFKFB-CTNGQTDRSA-N. The full InChI is InChI=1S/C24H23FN6O2/c25-19-9-11-30(24(32)33-16-17-6-2-1-3-7-17)15-21(19)29-23-14-26-13-20(28-23)18-12-27-31-10-5-4-8-22(18)31/h1-8,10,12-14,19,21H,9,11,15-16H2,(H,28,29)/t19-,21+/m1/s1.
What are the key properties of benzyl (3S,4R)-4-fluoro-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
benzyl (3S,4R)-4-fluoro-3-[(6-pyrazolo[1,5-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-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 67372244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).