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

C21H15FN8O2 — CID 146386481

IUPAC3-amino-6-(3H-benzimidazol-5-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc3nc[nH]c3c2)nc1C(=O)NCc1ncccc1F
InChIInChI=1S/C21H15FN8O2/c22-12-2-1-5-24-15(12)9-26-20(31)18-19(23)30-17(21-25-6-7-32-21)16(29-18)11-3-4-13-14(8-11)28-10-27-13/h1-8,10H,9H2,(H2,23,30)(H,26,31)(H,27,28)
InChIKeyGYCBAWUOCFEMQV-UHFFFAOYSA-N
MW430.40 g/mol
LogP2.72
Rot. Bonds5

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

3-amino-6-(3H-benzimidazol-5-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146386481) has the molecular formula C21H15FN8O2 and a molecular weight of 430.40 g/mol. Its IUPAC name is 3-amino-6-(3H-benzimidazol-5-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3H-benzimidazol-5-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID146386481
Molecular FormulaC21H15FN8O2
Molecular Weight430.40 g/mol
Exact Mass430.13
IUPAC Name3-amino-6-(3H-benzimidazol-5-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc3nc[nH]c3c2)nc1C(=O)NCc1ncccc1F
InChIInChI=1S/C21H15FN8O2/c22-12-2-1-5-24-15(12)9-26-20(31)18-19(23)30-17(21-25-6-7-32-21)16(29-18)11-3-4-13-14(8-11)28-10-27-13/h1-8,10H,9H2,(H2,23,30)(H,26,31)(H,27,28)
InChIKeyGYCBAWUOCFEMQV-UHFFFAOYSA-N
XLogP2.72
TPSA148.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3H-benzimidazol-5-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(3H-benzimidazol-5-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 146386481) is 3-amino-6-(3H-benzimidazol-5-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3H-benzimidazol-5-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3H-benzimidazol-5-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Nc1nc(-c2ncco2)c(-c2ccc3nc[nH]c3c2)nc1C(=O)NCc1ncccc1F.
What is the InChIKey of 3-amino-6-(3H-benzimidazol-5-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is GYCBAWUOCFEMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN8O2/c22-12-2-1-5-24-15(12)9-26-20(31)18-19(23)30-17(21-25-6-7-32-21)16(29-18)11-3-4-13-14(8-11)28-10-27-13/h1-8,10H,9H2,(H2,23,30)(H,26,31)(H,27,28).
What are the key properties of 3-amino-6-(3H-benzimidazol-5-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-6-(3H-benzimidazol-5-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 430.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3H-benzimidazol-5-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146386481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).