methyl 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate

C24H27F2N5O4 — CID 169129649

About methyl 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate

methyl 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 169129649) has the molecular formula C24H27F2N5O4 and a molecular weight of 487.51 g/mol. Its IUPAC name is methyl 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate
• PubChem CID: 169129649
• Molecular Formula: C24H27F2N5O4
• Molecular Weight: 487.51 g/mol
• Exact Mass: 487.20
• IUPAC Name: methyl 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate
• SMILES: COC(=O)c1ccn2c(-c3nc(NC4CCCN(C(=O)OC(C)(C)C)C4)c(F)cc3F)cnc2c1
• InChI: InChI=1S/C24H27F2N5O4/c1-24(2,3)35-23(33)30-8-5-6-15(13-30)28-21-17(26)11-16(25)20(29-21)18-12-27-19-10-14(22(32)34-4)7-9-31(18)19/h7,9-12,15H,5-6,8,13H2,1-4H3,(H,28,29)
• InChIKey: OMJCBKWQBIRXBP-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 98.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.51
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate?

The IUPAC name of methyl 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate (CID 169129649) is methyl 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate.

What is the SMILES notation for methyl 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate?

The canonical SMILES for methyl 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(-c3nc(NC4CCCN(C(=O)OC(C)(C)C)C4)c(F)cc3F)cnc2c1.

What is the InChIKey of methyl 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate?

The InChIKey is OMJCBKWQBIRXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O4/c1-24(2,3)35-23(33)30-8-5-6-15(13-30)28-21-17(26)11-16(25)20(29-21)18-12-27-19-10-14(22(32)34-4)7-9-31(18)19/h7,9-12,15H,5-6,8,13H2,1-4H3,(H,28,29).

What are the key properties of methyl 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate?

methyl 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 487.51 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 169129649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).