tert-butyl 7-[4-fluoro-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]thiophen-2-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate

C24H27F2N5O3S — CID 156845103

About tert-butyl 7-[4-fluoro-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]thiophen-2-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate

tert-butyl 7-[4-fluoro-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]thiophen-2-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate (PubChem CID 156845103) has the molecular formula C24H27F2N5O3S and a molecular weight of 503.58 g/mol. Its IUPAC name is tert-butyl 7-[4-fluoro-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]thiophen-2-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 7-[4-fluoro-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]thiophen-2-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
• PubChem CID: 156845103
• Molecular Formula: C24H27F2N5O3S
• Molecular Weight: 503.58 g/mol
• Exact Mass: 503.18
• IUPAC Name: tert-butyl 7-[4-fluoro-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]thiophen-2-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
• SMILES: Cc1cn2cc(NC(=O)c3sc(N4CCN(C(=O)OC(C)(C)C)C5(CC5)C4)cc3F)cc(F)c2n1
• InChI: InChI=1S/C24H27F2N5O3S/c1-14-11-30-12-15(9-17(26)20(30)27-14)28-21(32)19-16(25)10-18(35-19)29-7-8-31(24(13-29)5-6-24)22(33)34-23(2,3)4/h9-12H,5-8,13H2,1-4H3,(H,28,32)
• InChIKey: BUKUZEVSKKQVLV-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.58
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[4-fluoro-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]thiophen-2-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate?

The IUPAC name of tert-butyl 7-[4-fluoro-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]thiophen-2-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate (CID 156845103) is tert-butyl 7-[4-fluoro-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]thiophen-2-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate.

What is the SMILES notation for tert-butyl 7-[4-fluoro-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]thiophen-2-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate?

The canonical SMILES for tert-butyl 7-[4-fluoro-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]thiophen-2-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate is Cc1cn2cc(NC(=O)c3sc(N4CCN(C(=O)OC(C)(C)C)C5(CC5)C4)cc3F)cc(F)c2n1.

What is the InChIKey of tert-butyl 7-[4-fluoro-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]thiophen-2-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate?

The InChIKey is BUKUZEVSKKQVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O3S/c1-14-11-30-12-15(9-17(26)20(30)27-14)28-21(32)19-16(25)10-18(35-19)29-7-8-31(24(13-29)5-6-24)22(33)34-23(2,3)4/h9-12H,5-8,13H2,1-4H3,(H,28,32).

What are the key properties of tert-butyl 7-[4-fluoro-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]thiophen-2-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate?

tert-butyl 7-[4-fluoro-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]thiophen-2-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate has a molecular weight of 503.58 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 7-[4-fluoro-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]thiophen-2-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate is sourced from PubChem (CID 156845103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).