3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C22H18F2N6O4 — CID 155209266

IUPAC3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc(=O)n(CCO)c2)nc1C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C22H18F2N6O4/c23-14-2-1-3-15(24)13(14)10-27-21(33)19-20(25)29-18(22-26-6-9-34-22)17(28-19)12-4-5-16(32)30(11-12)7-8-31/h1-6,9,11,31H,7-8,10H2,(H2,25,29)(H,27,33)
InChIKeyDERZXALTFBZAHJ-UHFFFAOYSA-N
MW468.42 g/mol
LogP1.74
Rot. Bonds7

About 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 155209266) has the molecular formula C22H18F2N6O4 and a molecular weight of 468.42 g/mol. Its IUPAC name is 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID155209266
Molecular FormulaC22H18F2N6O4
Molecular Weight468.42 g/mol
Exact Mass468.14
IUPAC Name3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc(=O)n(CCO)c2)nc1C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C22H18F2N6O4/c23-14-2-1-3-15(24)13(14)10-27-21(33)19-20(25)29-18(22-26-6-9-34-22)17(28-19)12-4-5-16(32)30(11-12)7-8-31/h1-6,9,11,31H,7-8,10H2,(H2,25,29)(H,27,33)
InChIKeyDERZXALTFBZAHJ-UHFFFAOYSA-N
XLogP1.74
TPSA149.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.42
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide 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 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 155209266) is 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Nc1nc(-c2ncco2)c(-c2ccc(=O)n(CCO)c2)nc1C(=O)NCc1c(F)cccc1F.
What is the InChIKey of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is DERZXALTFBZAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O4/c23-14-2-1-3-15(24)13(14)10-27-21(33)19-20(25)29-18(22-26-6-9-34-22)17(28-19)12-4-5-16(32)30(11-12)7-8-31/h1-6,9,11,31H,7-8,10H2,(H2,25,29)(H,27,33).
What are the key properties of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 468.42 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155209266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).