5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol

C23H34FN3O2 — CID 137413945

IUPAC5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(CCC3COC3)C(O)N2CC2CC2)C1
InChIInChI=1S/C23H34FN3O2/c1-25(2)23(19-4-3-5-20(24)10-19)14-22(15-23)16-26(9-8-18-12-29-13-18)21(28)27(22)11-17-6-7-17/h3-5,10,17-18,21,28H,6-9,11-16H2,1-2H3
InChIKeyZOWRUJWOQOOZQU-UHFFFAOYSA-N
MW403.54 g/mol
LogP2.46
Rot. Bonds7

About 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol

5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol (PubChem CID 137413945) has the molecular formula C23H34FN3O2 and a molecular weight of 403.54 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol
PubChem CID137413945
Molecular FormulaC23H34FN3O2
Molecular Weight403.54 g/mol
Exact Mass403.26
IUPAC Name5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(CCC3COC3)C(O)N2CC2CC2)C1
InChIInChI=1S/C23H34FN3O2/c1-25(2)23(19-4-3-5-20(24)10-19)14-22(15-23)16-26(9-8-18-12-29-13-18)21(28)27(22)11-17-6-7-17/h3-5,10,17-18,21,28H,6-9,11-16H2,1-2H3
InChIKeyZOWRUJWOQOOZQU-UHFFFAOYSA-N
XLogP2.46
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10738015, Example SC-33
CID 137407618
US10738015, Example SC-37
CID 137407637
US10738015, Example SC-47
CID 137407647
US10738015, Example SC-42
CID 137407689
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
N-(cyclopropylmethyl)-N-[3-(dimethylamino)-3-(3-fluorophenyl)-1-[[methyl-[2-(oxetan-3-yl)ethyl]amino]methyl]cyclobutyl]formamide
CID 156330040

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol?
The IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol (CID 137413945) is 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol?
The canonical SMILES for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol is CN(C)C1(c2cccc(F)c2)CC2(CN(CCC3COC3)C(O)N2CC2CC2)C1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol?
The InChIKey is ZOWRUJWOQOOZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O2/c1-25(2)23(19-4-3-5-20(24)10-19)14-22(15-23)16-26(9-8-18-12-29-13-18)21(28)27(22)11-17-6-7-17/h3-5,10,17-18,21,28H,6-9,11-16H2,1-2H3.
What are the key properties of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol?
5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol has a molecular weight of 403.54 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol is sourced from PubChem (CID 137413945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).