2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one

C24H25F5N4O2 — CID 137407619

IUPAC2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(c3ccc(OC(F)(F)F)cn3)C(=O)N2CC2(F)CC2)C1
InChIInChI=1S/C24H25F5N4O2/c1-31(2)23(16-4-3-5-17(25)10-16)12-22(13-23)15-32(20(34)33(22)14-21(26)8-9-21)19-7-6-18(11-30-19)35-24(27,28)29/h3-7,10-11H,8-9,12-15H2,1-2H3
InChIKeyHAJYBZDTZXJRSA-UHFFFAOYSA-N
MW496.48 g/mol
LogP4.85
Rot. Bonds6

About 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one

2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 137407619) has the molecular formula C24H25F5N4O2 and a molecular weight of 496.48 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
PubChem CID137407619
Molecular FormulaC24H25F5N4O2
Molecular Weight496.48 g/mol
Exact Mass496.19
IUPAC Name2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(c3ccc(OC(F)(F)F)cn3)C(=O)N2CC2(F)CC2)C1
InChIInChI=1S/C24H25F5N4O2/c1-31(2)23(16-4-3-5-17(25)10-16)12-22(13-23)15-32(20(34)33(22)14-21(26)8-9-21)19-7-6-18(11-30-19)35-24(27,28)29/h3-7,10-11H,8-9,12-15H2,1-2H3
InChIKeyHAJYBZDTZXJRSA-UHFFFAOYSA-N
XLogP4.85
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.48
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one (CID 137407619) is 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one is CN(C)C1(c2cccc(F)c2)CC2(CN(c3ccc(OC(F)(F)F)cn3)C(=O)N2CC2(F)CC2)C1.
What is the InChIKey of 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is HAJYBZDTZXJRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F5N4O2/c1-31(2)23(16-4-3-5-17(25)10-16)12-22(13-23)15-32(20(34)33(22)14-21(26)8-9-21)19-7-6-18(11-30-19)35-24(27,28)29/h3-7,10-11H,8-9,12-15H2,1-2H3.
What are the key properties of 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one?
2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 496.48 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[(1-fluorocyclopropyl)methyl]-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 137407619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).