3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazine-2-carboxamide

C20H14FN9O2 — CID 155209335

IUPAC3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc3ncnn3c2)nc1C(=O)NCc1ncccc1F
InChIInChI=1S/C20H14FN9O2/c21-12-2-1-5-23-13(12)8-25-19(31)17-18(22)29-16(20-24-6-7-32-20)15(28-17)11-3-4-14-26-10-27-30(14)9-11/h1-7,9-10H,8H2,(H2,22,29)(H,25,31)
InChIKeyXBIYCWPAQSHBMY-UHFFFAOYSA-N
MW431.39 g/mol
LogP1.89
Rot. Bonds5

About 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazine-2-carboxamide

3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazine-2-carboxamide (PubChem CID 155209335) has the molecular formula C20H14FN9O2 and a molecular weight of 431.39 g/mol. Its IUPAC name is 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazine-2-carboxamide
PubChem CID155209335
Molecular FormulaC20H14FN9O2
Molecular Weight431.39 g/mol
Exact Mass431.13
IUPAC Name3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc3ncnn3c2)nc1C(=O)NCc1ncccc1F
InChIInChI=1S/C20H14FN9O2/c21-12-2-1-5-23-13(12)8-25-19(31)17-18(22)29-16(20-24-6-7-32-20)15(28-17)11-3-4-14-26-10-27-30(14)9-11/h1-7,9-10H,8H2,(H2,22,29)(H,25,31)
InChIKeyXBIYCWPAQSHBMY-UHFFFAOYSA-N
XLogP1.89
TPSA150.01 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazine-2-carboxamide (CID 155209335) is 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazine-2-carboxamide is Nc1nc(-c2ncco2)c(-c2ccc3ncnn3c2)nc1C(=O)NCc1ncccc1F.
What is the InChIKey of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazine-2-carboxamide?
The InChIKey is XBIYCWPAQSHBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN9O2/c21-12-2-1-5-23-13(12)8-25-19(31)17-18(22)29-16(20-24-6-7-32-20)15(28-17)11-3-4-14-26-10-27-30(14)9-11/h1-7,9-10H,8H2,(H2,22,29)(H,25,31).
What are the key properties of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazine-2-carboxamide?
3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazine-2-carboxamide has a molecular weight of 431.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155209335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).