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

C22H15F2N7O2 — CID 146386417

IUPAC3-amino-N-[(2,6-difluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc3nccn3c2)nc1C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C22H15F2N7O2/c23-14-2-1-3-15(24)13(14)10-28-21(32)19-20(25)30-18(22-27-7-9-33-22)17(29-19)12-4-5-16-26-6-8-31(16)11-12/h1-9,11H,10H2,(H2,25,30)(H,28,32)
InChIKeyZOQZGBIHGZGDEI-UHFFFAOYSA-N
MW447.41 g/mol
LogP3.24
Rot. Bonds5

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

3-amino-N-[(2,6-difluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146386417) has the molecular formula C22H15F2N7O2 and a molecular weight of 447.41 g/mol. Its IUPAC name is 3-amino-N-[(2,6-difluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2,6-difluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID146386417
Molecular FormulaC22H15F2N7O2
Molecular Weight447.41 g/mol
Exact Mass447.13
IUPAC Name3-amino-N-[(2,6-difluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc3nccn3c2)nc1C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C22H15F2N7O2/c23-14-2-1-3-15(24)13(14)10-28-21(32)19-20(25)30-18(22-27-7-9-33-22)17(29-19)12-4-5-16-26-6-8-31(16)11-12/h1-9,11H,10H2,(H2,25,30)(H,28,32)
InChIKeyZOQZGBIHGZGDEI-UHFFFAOYSA-N
XLogP3.24
TPSA124.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 146386417) is 3-amino-N-[(2,6-difluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Nc1nc(-c2ncco2)c(-c2ccc3nccn3c2)nc1C(=O)NCc1c(F)cccc1F.
What is the InChIKey of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is ZOQZGBIHGZGDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N7O2/c23-14-2-1-3-15(24)13(14)10-28-21(32)19-20(25)30-18(22-27-7-9-33-22)17(29-19)12-4-5-16-26-6-8-31(16)11-12/h1-9,11H,10H2,(H2,25,30)(H,28,32).
What are the key properties of 3-amino-N-[(2,6-difluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(2,6-difluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 447.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,6-difluorophenyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146386417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).