2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C21H14FN9O — CID 146490649

IUPAC2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ncco2)c(-c2ccc3nccn3c2)c2nc(Cc3ncccc3F)nn12
InChIInChI=1S/C21H14FN9O/c22-13-2-1-5-24-14(13)10-15-27-19-17(12-3-4-16-25-6-8-30(16)11-12)18(20-26-7-9-32-20)28-21(23)31(19)29-15/h1-9,11H,10H2,(H2,23,28)
InChIKeyPMRKZAQQXFIXNH-UHFFFAOYSA-N
MW427.40 g/mol
LogP2.80
Rot. Bonds4

About 2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490649) has the molecular formula C21H14FN9O and a molecular weight of 427.40 g/mol. Its IUPAC name is 2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490649
Molecular FormulaC21H14FN9O
Molecular Weight427.40 g/mol
Exact Mass427.13
IUPAC Name2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ncco2)c(-c2ccc3nccn3c2)c2nc(Cc3ncccc3F)nn12
InChIInChI=1S/C21H14FN9O/c22-13-2-1-5-24-14(13)10-15-27-19-17(12-3-4-16-25-6-8-30(16)11-12)18(20-26-7-9-32-20)28-21(23)31(19)29-15/h1-9,11H,10H2,(H2,23,28)
InChIKeyPMRKZAQQXFIXNH-UHFFFAOYSA-N
XLogP2.80
TPSA125.32 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490649) is 2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(-c2ncco2)c(-c2ccc3nccn3c2)c2nc(Cc3ncccc3F)nn12.
What is the InChIKey of 2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is PMRKZAQQXFIXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN9O/c22-13-2-1-5-24-14(13)10-15-27-19-17(12-3-4-16-25-6-8-30(16)11-12)18(20-26-7-9-32-20)28-21(23)31(19)29-15/h1-9,11H,10H2,(H2,23,28).
What are the key properties of 2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 427.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).