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

C21H15FN8O2 — CID 146386431

IUPAC3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc3nccn3c2)nc1C(=O)NCc1ncccc1F
InChIInChI=1S/C21H15FN8O2/c22-13-2-1-5-24-14(13)10-27-20(31)18-19(23)29-17(21-26-7-9-32-21)16(28-18)12-3-4-15-25-6-8-30(15)11-12/h1-9,11H,10H2,(H2,23,29)(H,27,31)
InChIKeyYTOKUPSVMWWKDE-UHFFFAOYSA-N
MW430.40 g/mol
LogP2.49
Rot. Bonds5

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

3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146386431) has the molecular formula C21H15FN8O2 and a molecular weight of 430.40 g/mol. Its IUPAC name is 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID146386431
Molecular FormulaC21H15FN8O2
Molecular Weight430.40 g/mol
Exact Mass430.13
IUPAC Name3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc3nccn3c2)nc1C(=O)NCc1ncccc1F
InChIInChI=1S/C21H15FN8O2/c22-13-2-1-5-24-14(13)10-27-20(31)18-19(23)29-17(21-26-7-9-32-21)16(28-18)12-3-4-15-25-6-8-30(15)11-12/h1-9,11H,10H2,(H2,23,29)(H,27,31)
InChIKeyYTOKUPSVMWWKDE-UHFFFAOYSA-N
XLogP2.49
TPSA137.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 146386431) is 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-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-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Nc1nc(-c2ncco2)c(-c2ccc3nccn3c2)nc1C(=O)NCc1ncccc1F.
What is the InChIKey of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is YTOKUPSVMWWKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN8O2/c22-13-2-1-5-24-14(13)10-27-20(31)18-19(23)29-17(21-26-7-9-32-21)16(28-18)12-3-4-15-25-6-8-30(15)11-12/h1-9,11H,10H2,(H2,23,29)(H,27,31).
What are the key properties of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 430.40 g/mol, XLogP of 2.49, 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-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146386431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).