N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide

C22H17F2N5O3 — CID 67515995

IUPACN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(F)cncc2F)cn1
InChIInChI=1S/C22H17F2N5O3/c1-11-4-5-12(19-20(30)22(2,3)32-29-19)6-13(11)16-9-27-17(10-26-16)28-21(31)18-14(23)7-25-8-15(18)24/h4-10H,1-3H3,(H,27,28,31)
InChIKeyVWWZLAHHWMLIIM-UHFFFAOYSA-N
MW437.41 g/mol
LogP3.46
Rot. Bonds4

About N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide

N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide (PubChem CID 67515995) has the molecular formula C22H17F2N5O3 and a molecular weight of 437.41 g/mol. Its IUPAC name is N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
PubChem CID67515995
Molecular FormulaC22H17F2N5O3
Molecular Weight437.41 g/mol
Exact Mass437.13
IUPAC NameN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(F)cncc2F)cn1
InChIInChI=1S/C22H17F2N5O3/c1-11-4-5-12(19-20(30)22(2,3)32-29-19)6-13(11)16-9-27-17(10-26-16)28-21(31)18-14(23)7-25-8-15(18)24/h4-10H,1-3H3,(H,27,28,31)
InChIKeyVWWZLAHHWMLIIM-UHFFFAOYSA-N
XLogP3.46
TPSA106.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-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 N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
The IUPAC name of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide (CID 67515995) is N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide is Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1cnc(NC(=O)c2c(F)cncc2F)cn1.
What is the InChIKey of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
The InChIKey is VWWZLAHHWMLIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N5O3/c1-11-4-5-12(19-20(30)22(2,3)32-29-19)6-13(11)16-9-27-17(10-26-16)28-21(31)18-14(23)7-25-8-15(18)24/h4-10H,1-3H3,(H,27,28,31).
What are the key properties of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide has a molecular weight of 437.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide is sourced from PubChem (CID 67515995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).