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

C22H18FN9O2 — CID 146386591

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

3-amino-6-[3-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146386591) has the molecular formula C22H18FN9O2 and a molecular weight of 459.45 g/mol. Its IUPAC name is 3-amino-6-[3-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-[3-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
• PubChem CID: 146386591
• Molecular Formula: C22H18FN9O2
• Molecular Weight: 459.45 g/mol
• Exact Mass: 459.16
• IUPAC Name: 3-amino-6-[3-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
• SMILES: NCc1cnc2ccc(-c3nc(C(=O)NCc4ncccc4F)c(N)nc3-c3ncco3)cn12
• InChI: InChI=1S/C22H18FN9O2/c23-14-2-1-5-26-15(14)10-29-21(33)19-20(25)31-18(22-27-6-7-34-22)17(30-19)12-3-4-16-28-9-13(8-24)32(16)11-12/h1-7,9,11H,8,10,24H2,(H2,25,31)(H,29,33)
• InChIKey: RCYBPJLFLQYBBK-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 163.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.45
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

The IUPAC name of 3-amino-6-[3-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 146386591) is 3-amino-6-[3-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-6-[3-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-6-[3-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is NCc1cnc2ccc(-c3nc(C(=O)NCc4ncccc4F)c(N)nc3-c3ncco3)cn12.

What is the InChIKey of 3-amino-6-[3-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

The InChIKey is RCYBPJLFLQYBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN9O2/c23-14-2-1-5-26-15(14)10-29-21(33)19-20(25)31-18(22-27-6-7-34-22)17(30-19)12-3-4-16-28-9-13(8-24)32(16)11-12/h1-7,9,11H,8,10,24H2,(H2,25,31)(H,29,33).

What are the key properties of 3-amino-6-[3-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

3-amino-6-[3-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 459.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[3-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146386591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).