3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylbenzimidazol-5-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C22H17FN8O2 — CID 146386425

IUPAC3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylbenzimidazol-5-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCn1cnc2ccc(-c3nc(C(=O)NCc4ncccc4F)c(N)nc3-c3ncco3)cc21
InChIInChI=1S/C22H17FN8O2/c1-31-11-28-14-5-4-12(9-16(14)31)17-18(22-26-7-8-33-22)30-20(24)19(29-17)21(32)27-10-15-13(23)3-2-6-25-15/h2-9,11H,10H2,1H3,(H2,24,30)(H,27,32)
InChIKeyMBDPUTNEWLDTNV-UHFFFAOYSA-N
MW444.43 g/mol
LogP2.73
Rot. Bonds5

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

3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylbenzimidazol-5-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146386425) has the molecular formula C22H17FN8O2 and a molecular weight of 444.43 g/mol. Its IUPAC name is 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylbenzimidazol-5-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylbenzimidazol-5-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID146386425
Molecular FormulaC22H17FN8O2
Molecular Weight444.43 g/mol
Exact Mass444.15
IUPAC Name3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylbenzimidazol-5-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCn1cnc2ccc(-c3nc(C(=O)NCc4ncccc4F)c(N)nc3-c3ncco3)cc21
InChIInChI=1S/C22H17FN8O2/c1-31-11-28-14-5-4-12(9-16(14)31)17-18(22-26-7-8-33-22)30-20(24)19(29-17)21(32)27-10-15-13(23)3-2-6-25-15/h2-9,11H,10H2,1H3,(H2,24,30)(H,27,32)
InChIKeyMBDPUTNEWLDTNV-UHFFFAOYSA-N
XLogP2.73
TPSA137.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylbenzimidazol-5-yl)-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-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylbenzimidazol-5-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylbenzimidazol-5-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 146386425) is 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylbenzimidazol-5-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylbenzimidazol-5-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylbenzimidazol-5-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cn1cnc2ccc(-c3nc(C(=O)NCc4ncccc4F)c(N)nc3-c3ncco3)cc21.
What is the InChIKey of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylbenzimidazol-5-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is MBDPUTNEWLDTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN8O2/c1-31-11-28-14-5-4-12(9-16(14)31)17-18(22-26-7-8-33-22)30-20(24)19(29-17)21(32)27-10-15-13(23)3-2-6-25-15/h2-9,11H,10H2,1H3,(H2,24,30)(H,27,32).
What are the key properties of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylbenzimidazol-5-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylbenzimidazol-5-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 444.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylbenzimidazol-5-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146386425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).