methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate

C21H18N4O2 — CID 86704899

About methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate

methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate (PubChem CID 86704899) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
• PubChem CID: 86704899
• Molecular Formula: C21H18N4O2
• Molecular Weight: 358.40 g/mol
• Exact Mass: 358.14
• IUPAC Name: methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
• SMILES: COC(=O)c1cccc(Cc2c(-c3ccccc3)nn3cc(N)ccc23)n1
• InChI: InChI=1S/C21H18N4O2/c1-27-21(26)18-9-5-8-16(23-18)12-17-19-11-10-15(22)13-25(19)24-20(17)14-6-3-2-4-7-14/h2-11,13H,12,22H2,1H3
• InChIKey: RKOZZZPSJVXKBE-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 82.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.40
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate?

The IUPAC name of methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate (CID 86704899) is methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate.

What is the SMILES notation for methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate?

The canonical SMILES for methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(Cc2c(-c3ccccc3)nn3cc(N)ccc23)n1.

What is the InChIKey of methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate?

The InChIKey is RKOZZZPSJVXKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-27-21(26)18-9-5-8-16(23-18)12-17-19-11-10-15(22)13-25(19)24-20(17)14-6-3-2-4-7-14/h2-11,13H,12,22H2,1H3.

What are the key properties of methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate?

methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 86704899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).