[8-(2,2-difluoroethyl)-10-(1-methylimidazol-2-yl)-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone

C25H34F2N4O3 — CID 123903445

About [8-(2,2-difluoroethyl)-10-(1-methylimidazol-2-yl)-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone

[8-(2,2-difluoroethyl)-10-(1-methylimidazol-2-yl)-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone (PubChem CID 123903445) has the molecular formula C25H34F2N4O3 and a molecular weight of 476.57 g/mol. Its IUPAC name is [8-(2,2-difluoroethyl)-10-(1-methylimidazol-2-yl)-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone.

Molecular Properties

• Compound Name: [8-(2,2-difluoroethyl)-10-(1-methylimidazol-2-yl)-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
• PubChem CID: 123903445
• Molecular Formula: C25H34F2N4O3
• Molecular Weight: 476.57 g/mol
• Exact Mass: 476.26
• IUPAC Name: [8-(2,2-difluoroethyl)-10-(1-methylimidazol-2-yl)-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
• SMILES: Cc1cc(C(=O)N2CCC3(CC(c4nccn4C)CN(CC(F)F)C3)OC2)ccc1OC(C)C
• InChI: InChI=1S/C25H34F2N4O3/c1-17(2)34-21-6-5-19(11-18(21)3)24(32)31-9-7-25(33-16-31)12-20(23-28-8-10-29(23)4)13-30(15-25)14-22(26)27/h5-6,8,10-11,17,20,22H,7,9,12-16H2,1-4H3
• InChIKey: DLMZLONRGBZMIB-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 59.83 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.57
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [8-(2,2-difluoroethyl)-10-(1-methylimidazol-2-yl)-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone?

The IUPAC name of [8-(2,2-difluoroethyl)-10-(1-methylimidazol-2-yl)-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone (CID 123903445) is [8-(2,2-difluoroethyl)-10-(1-methylimidazol-2-yl)-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone.

What is the SMILES notation for [8-(2,2-difluoroethyl)-10-(1-methylimidazol-2-yl)-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone?

The canonical SMILES for [8-(2,2-difluoroethyl)-10-(1-methylimidazol-2-yl)-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone is Cc1cc(C(=O)N2CCC3(CC(c4nccn4C)CN(CC(F)F)C3)OC2)ccc1OC(C)C.

What is the InChIKey of [8-(2,2-difluoroethyl)-10-(1-methylimidazol-2-yl)-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone?

The InChIKey is DLMZLONRGBZMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F2N4O3/c1-17(2)34-21-6-5-19(11-18(21)3)24(32)31-9-7-25(33-16-31)12-20(23-28-8-10-29(23)4)13-30(15-25)14-22(26)27/h5-6,8,10-11,17,20,22H,7,9,12-16H2,1-4H3.

What are the key properties of [8-(2,2-difluoroethyl)-10-(1-methylimidazol-2-yl)-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone?

[8-(2,2-difluoroethyl)-10-(1-methylimidazol-2-yl)-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone has a molecular weight of 476.57 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [8-(2,2-difluoroethyl)-10-(1-methylimidazol-2-yl)-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 123903445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).