tert-butyl (2R)-2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylate

C26H28F2N8O4 — CID 155209296

IUPACtert-butyl (2R)-2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylate
SMILESCc1cnc2ccc(-c3nc(C(=O)NC[C@H]4CC(F)(F)CN4C(=O)OC(C)(C)C)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C26H28F2N8O4/c1-14-10-31-17-6-5-15(12-35(14)17)18-19(23-30-7-8-39-23)34-21(29)20(33-18)22(37)32-11-16-9-26(27,28)13-36(16)24(38)40-25(2,3)4/h5-8,10,12,16H,9,11,13H2,1-4H3,(H2,29,34)(H,32,37)/t16-/m1/s1
InChIKeyQEJZRYLDFLMFDC-MRXNPFEDSA-N
MW554.56 g/mol
LogP3.71
Rot. Bonds5

About tert-butyl (2R)-2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylate

tert-butyl (2R)-2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylate (PubChem CID 155209296) has the molecular formula C26H28F2N8O4 and a molecular weight of 554.56 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylate
PubChem CID155209296
Molecular FormulaC26H28F2N8O4
Molecular Weight554.56 g/mol
Exact Mass554.22
IUPAC Nametert-butyl (2R)-2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylate
SMILESCc1cnc2ccc(-c3nc(C(=O)NC[C@H]4CC(F)(F)CN4C(=O)OC(C)(C)C)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C26H28F2N8O4/c1-14-10-31-17-6-5-15(12-35(14)17)18-19(23-30-7-8-39-23)34-21(29)20(33-18)22(37)32-11-16-9-26(27,28)13-36(16)24(38)40-25(2,3)4/h5-8,10,12,16H,9,11,13H2,1-4H3,(H2,29,34)(H,32,37)/t16-/m1/s1
InChIKeyQEJZRYLDFLMFDC-MRXNPFEDSA-N
XLogP3.71
TPSA153.77 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.56
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze tert-butyl (2R)-2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylate (CID 155209296) is tert-butyl (2R)-2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylate is Cc1cnc2ccc(-c3nc(C(=O)NC[C@H]4CC(F)(F)CN4C(=O)OC(C)(C)C)c(N)nc3-c3ncco3)cn12.
What is the InChIKey of tert-butyl (2R)-2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylate?
The InChIKey is QEJZRYLDFLMFDC-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H28F2N8O4/c1-14-10-31-17-6-5-15(12-35(14)17)18-19(23-30-7-8-39-23)34-21(29)20(33-18)22(37)32-11-16-9-26(27,28)13-36(16)24(38)40-25(2,3)4/h5-8,10,12,16H,9,11,13H2,1-4H3,(H2,29,34)(H,32,37)/t16-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylate has a molecular weight of 554.56 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylate is sourced from PubChem (CID 155209296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).