5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one

C22H29F2N3O2 — CID 137407618

IUPAC5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(CC3(F)COC3)C(=O)N2CC2CC2)C1
InChIInChI=1S/C22H29F2N3O2/c1-25(2)22(17-4-3-5-18(23)8-17)10-21(11-22)13-26(12-20(24)14-29-15-20)19(28)27(21)9-16-6-7-16/h3-5,8,16H,6-7,9-15H2,1-2H3
InChIKeyWLWZVVYWIPKPFI-UHFFFAOYSA-N
MW405.49 g/mol
LogP3.00
Rot. Bonds6

About 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one

5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 137407618) has the molecular formula C22H29F2N3O2 and a molecular weight of 405.49 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one
PubChem CID137407618
Molecular FormulaC22H29F2N3O2
Molecular Weight405.49 g/mol
Exact Mass405.22
IUPAC Name5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(CC3(F)COC3)C(=O)N2CC2CC2)C1
InChIInChI=1S/C22H29F2N3O2/c1-25(2)22(17-4-3-5-18(23)8-17)10-21(11-22)13-26(12-20(24)14-29-15-20)19(28)27(21)9-16-6-7-16/h3-5,8,16H,6-7,9-15H2,1-2H3
InChIKeyWLWZVVYWIPKPFI-UHFFFAOYSA-N
XLogP3.00
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one with MolForge

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Related Compounds

US10738015, Example SC-44
CID 137407635
US10738015, Example SC-37
CID 137407637
US10738015, Example SC-47
CID 137407647
US10738015, Example SC-42
CID 137407689
US10738015, Example SC-45
CID 137407671
5-(Cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one
CID 137407722
3-[5-(Cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-6-oxo-5,7-diazaspiro[3.4]octan-3-yl]propanenitrile
CID 137407833
5-(Cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol
CID 137413945
8-(Dimethylamino)-1-[(1-fluorocyclopropyl)methyl]-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 140916850
5-(Cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-propyl-5,7-diazaspiro[3.4]octan-6-one
CID 145766249
2-(Dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one
CID 155630366
5-(Cyclopropylmethyl)-2-(dimethylamino)-7-(3-ethyloctyl)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one
CID 156309896

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one (CID 137407618) is 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one is CN(C)C1(c2cccc(F)c2)CC2(CN(CC3(F)COC3)C(=O)N2CC2CC2)C1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is WLWZVVYWIPKPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F2N3O2/c1-25(2)22(17-4-3-5-18(23)8-17)10-21(11-22)13-26(12-20(24)14-29-15-20)19(28)27(21)9-16-6-7-16/h3-5,8,16H,6-7,9-15H2,1-2H3.
What are the key properties of 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one?
5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 405.49 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(3-fluorooxetan-3-yl)methyl]-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 137407618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).