methyl 3-[[6-[(dimethylamino)methyl]-5-morpholin-4-yl-2-pyridinyl]amino]-6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxylate

C26H28FN7O3 — CID 177261880

About methyl 3-[[6-[(dimethylamino)methyl]-5-morpholin-4-yl-2-pyridinyl]amino]-6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxylate

methyl 3-[[6-[(dimethylamino)methyl]-5-morpholin-4-yl-2-pyridinyl]amino]-6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxylate (PubChem CID 177261880) has the molecular formula C26H28FN7O3 and a molecular weight of 505.55 g/mol. Its IUPAC name is methyl 3-[[6-[(dimethylamino)methyl]-5-morpholin-4-yl-2-pyridinyl]amino]-6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[[6-[(dimethylamino)methyl]-5-morpholin-4-yl-2-pyridinyl]amino]-6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxylate
• PubChem CID: 177261880
• Molecular Formula: C26H28FN7O3
• Molecular Weight: 505.55 g/mol
• Exact Mass: 505.22
• IUPAC Name: methyl 3-[[6-[(dimethylamino)methyl]-5-morpholin-4-yl-2-pyridinyl]amino]-6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxylate
• SMILES: COC(=O)c1nc(-c2cnc3cc(F)ccn23)ccc1Nc1ccc(N2CCOCC2)c(CN(C)C)n1
• InChI: InChI=1S/C26H28FN7O3/c1-32(2)16-20-21(33-10-12-37-13-11-33)6-7-23(30-20)29-19-5-4-18(31-25(19)26(35)36-3)22-15-28-24-14-17(27)8-9-34(22)24/h4-9,14-15H,10-13,16H2,1-3H3,(H,29,30)
• InChIKey: PCXFXECLCDUQSD-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 97.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.55
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-[(dimethylamino)methyl]-5-morpholin-4-yl-2-pyridinyl]amino]-6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxylate?

The IUPAC name of methyl 3-[[6-[(dimethylamino)methyl]-5-morpholin-4-yl-2-pyridinyl]amino]-6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxylate (CID 177261880) is methyl 3-[[6-[(dimethylamino)methyl]-5-morpholin-4-yl-2-pyridinyl]amino]-6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxylate.

What is the SMILES notation for methyl 3-[[6-[(dimethylamino)methyl]-5-morpholin-4-yl-2-pyridinyl]amino]-6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxylate?

The canonical SMILES for methyl 3-[[6-[(dimethylamino)methyl]-5-morpholin-4-yl-2-pyridinyl]amino]-6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxylate is COC(=O)c1nc(-c2cnc3cc(F)ccn23)ccc1Nc1ccc(N2CCOCC2)c(CN(C)C)n1.

What is the InChIKey of methyl 3-[[6-[(dimethylamino)methyl]-5-morpholin-4-yl-2-pyridinyl]amino]-6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxylate?

The InChIKey is PCXFXECLCDUQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O3/c1-32(2)16-20-21(33-10-12-37-13-11-33)6-7-23(30-20)29-19-5-4-18(31-25(19)26(35)36-3)22-15-28-24-14-17(27)8-9-34(22)24/h4-9,14-15H,10-13,16H2,1-3H3,(H,29,30).

What are the key properties of methyl 3-[[6-[(dimethylamino)methyl]-5-morpholin-4-yl-2-pyridinyl]amino]-6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxylate?

methyl 3-[[6-[(dimethylamino)methyl]-5-morpholin-4-yl-2-pyridinyl]amino]-6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxylate has a molecular weight of 505.55 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[[6-[(dimethylamino)methyl]-5-morpholin-4-yl-2-pyridinyl]amino]-6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxylate is sourced from PubChem (CID 177261880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).