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

C22H17FN8O2 — CID 146386512

IUPAC3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCc4ncccc4F)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C22H17FN8O2/c1-12-9-27-16-5-4-13(11-31(12)16)17-18(22-26-7-8-33-22)30-20(24)19(29-17)21(32)28-10-15-14(23)3-2-6-25-15/h2-9,11H,10H2,1H3,(H2,24,30)(H,28,32)
InChIKeyBEYZUKZRZOPCPC-UHFFFAOYSA-N
MW444.43 g/mol
LogP2.80
Rot. Bonds5

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

3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146386512) has the molecular formula C22H17FN8O2 and a molecular weight of 444.43 g/mol. Its IUPAC name is 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[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-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID146386512
Molecular FormulaC22H17FN8O2
Molecular Weight444.43 g/mol
Exact Mass444.15
IUPAC Name3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCc4ncccc4F)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C22H17FN8O2/c1-12-9-27-16-5-4-13(11-31(12)16)17-18(22-26-7-8-33-22)30-20(24)19(29-17)21(32)28-10-15-14(23)3-2-6-25-15/h2-9,11H,10H2,1H3,(H2,24,30)(H,28,32)
InChIKeyBEYZUKZRZOPCPC-UHFFFAOYSA-N
XLogP2.80
TPSA137.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 52.80
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-(3-methylimidazo[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-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 146386512) is 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[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-(3-methylimidazo[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-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cc1cnc2ccc(-c3nc(C(=O)NCc4ncccc4F)c(N)nc3-c3ncco3)cn12.
What is the InChIKey of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is BEYZUKZRZOPCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN8O2/c1-12-9-27-16-5-4-13(11-31(12)16)17-18(22-26-7-8-33-22)30-20(24)19(29-17)21(32)28-10-15-14(23)3-2-6-25-15/h2-9,11H,10H2,1H3,(H2,24,30)(H,28,32).
What are the key properties of 3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(3-fluoro-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 444.43 g/mol, XLogP of 2.80, 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-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146386512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).