3-amino-N-[(2,6-difluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazine-2-carboxamide

C21H14F2N8O2 — CID 146386432

IUPAC3-amino-N-[(2,6-difluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc3nncn3c2)nc1C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C21H14F2N8O2/c22-13-2-1-3-14(23)12(13)8-26-20(32)18-19(24)29-17(21-25-6-7-33-21)16(28-18)11-4-5-15-30-27-10-31(15)9-11/h1-7,9-10H,8H2,(H2,24,29)(H,26,32)
InChIKeyBEFFDNOKNRRUKO-UHFFFAOYSA-N
MW448.39 g/mol
LogP2.63
Rot. Bonds5

About 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazine-2-carboxamide

3-amino-N-[(2,6-difluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazine-2-carboxamide (PubChem CID 146386432) has the molecular formula C21H14F2N8O2 and a molecular weight of 448.39 g/mol. Its IUPAC name is 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2,6-difluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazine-2-carboxamide
PubChem CID146386432
Molecular FormulaC21H14F2N8O2
Molecular Weight448.39 g/mol
Exact Mass448.12
IUPAC Name3-amino-N-[(2,6-difluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc3nncn3c2)nc1C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C21H14F2N8O2/c22-13-2-1-3-14(23)12(13)8-26-20(32)18-19(24)29-17(21-25-6-7-33-21)16(28-18)11-4-5-15-30-27-10-31(15)9-11/h1-7,9-10H,8H2,(H2,24,29)(H,26,32)
InChIKeyBEFFDNOKNRRUKO-UHFFFAOYSA-N
XLogP2.63
TPSA137.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazine-2-carboxamide (CID 146386432) is 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazine-2-carboxamide is Nc1nc(-c2ncco2)c(-c2ccc3nncn3c2)nc1C(=O)NCc1c(F)cccc1F.
What is the InChIKey of 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazine-2-carboxamide?
The InChIKey is BEFFDNOKNRRUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N8O2/c22-13-2-1-3-14(23)12(13)8-26-20(32)18-19(24)29-17(21-25-6-7-33-21)16(28-18)11-4-5-15-30-27-10-31(15)9-11/h1-7,9-10H,8H2,(H2,24,29)(H,26,32).
What are the key properties of 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazine-2-carboxamide?
3-amino-N-[(2,6-difluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazine-2-carboxamide has a molecular weight of 448.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,6-difluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146386432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).