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

C20H16N8O2S — CID 146386446

IUPAC3-amino-6-imidazo[1,2-a]pyridin-6-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1nc(CNC(=O)c2nc(-c3ccc4nccn4c3)c(-c3ncco3)nc2N)cs1
InChIInChI=1S/C20H16N8O2S/c1-11-25-13(10-31-11)8-24-19(29)17-18(21)27-16(20-23-5-7-30-20)15(26-17)12-2-3-14-22-4-6-28(14)9-12/h2-7,9-10H,8H2,1H3,(H2,21,27)(H,24,29)
InChIKeyXVMZHBKBLNKXOK-UHFFFAOYSA-N
MW432.47 g/mol
LogP2.72
Rot. Bonds5

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

3-amino-6-imidazo[1,2-a]pyridin-6-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146386446) has the molecular formula C20H16N8O2S and a molecular weight of 432.47 g/mol. Its IUPAC name is 3-amino-6-imidazo[1,2-a]pyridin-6-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-imidazo[1,2-a]pyridin-6-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID146386446
Molecular FormulaC20H16N8O2S
Molecular Weight432.47 g/mol
Exact Mass432.11
IUPAC Name3-amino-6-imidazo[1,2-a]pyridin-6-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1nc(CNC(=O)c2nc(-c3ccc4nccn4c3)c(-c3ncco3)nc2N)cs1
InChIInChI=1S/C20H16N8O2S/c1-11-25-13(10-31-11)8-24-19(29)17-18(21)27-16(20-23-5-7-30-20)15(26-17)12-2-3-14-22-4-6-28(14)9-12/h2-7,9-10H,8H2,1H3,(H2,21,27)(H,24,29)
InChIKeyXVMZHBKBLNKXOK-UHFFFAOYSA-N
XLogP2.72
TPSA137.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-imidazo[1,2-a]pyridin-6-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-imidazo[1,2-a]pyridin-6-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 146386446) is 3-amino-6-imidazo[1,2-a]pyridin-6-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-imidazo[1,2-a]pyridin-6-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-imidazo[1,2-a]pyridin-6-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cc1nc(CNC(=O)c2nc(-c3ccc4nccn4c3)c(-c3ncco3)nc2N)cs1.
What is the InChIKey of 3-amino-6-imidazo[1,2-a]pyridin-6-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is XVMZHBKBLNKXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8O2S/c1-11-25-13(10-31-11)8-24-19(29)17-18(21)27-16(20-23-5-7-30-20)15(26-17)12-2-3-14-22-4-6-28(14)9-12/h2-7,9-10H,8H2,1H3,(H2,21,27)(H,24,29).
What are the key properties of 3-amino-6-imidazo[1,2-a]pyridin-6-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-6-imidazo[1,2-a]pyridin-6-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 432.47 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-imidazo[1,2-a]pyridin-6-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146386446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).