[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(5-fluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone

C24H29FN6O — CID 166084098

IUPAC[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(5-fluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(N1CC2(CC(Cc3ccc(F)cn3)C2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C24H29FN6O/c25-18-3-4-19(26-10-18)5-16-6-23(7-16)11-29(12-23)22(32)30-13-24(14-30)8-20(9-24)31-15-27-21(28-31)17-1-2-17/h3-4,10,15-17,20H,1-2,5-9,11-14H2
InChIKeyFEBNAALKSMPIAQ-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.40
Rot. Bonds4

About [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(5-fluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(5-fluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 166084098) has the molecular formula C24H29FN6O and a molecular weight of 436.54 g/mol. Its IUPAC name is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(5-fluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(5-fluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID166084098
Molecular FormulaC24H29FN6O
Molecular Weight436.54 g/mol
Exact Mass436.24
IUPAC Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(5-fluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(N1CC2(CC(Cc3ccc(F)cn3)C2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C24H29FN6O/c25-18-3-4-19(26-10-18)5-16-6-23(7-16)11-29(12-23)22(32)30-13-24(14-30)8-20(9-24)31-15-27-21(28-31)17-1-2-17/h3-4,10,15-17,20H,1-2,5-9,11-14H2
InChIKeyFEBNAALKSMPIAQ-UHFFFAOYSA-N
XLogP3.40
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(5-fluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone with MolForge

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Related Compounds

[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(2,2-difluoro-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraen-8-yl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 172653927
2-[1-[5-Cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]cyclobutyl]pyridine
CID 57625659
2-[2-[5-Cyclopropyl-4-[2-(3-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]propan-2-yl]pyridine
CID 57625718
2-[1-[5-Cyclopropyl-4-[2-(2,6-difluorophenyl)ethyl]-1,2,4-triazol-3-yl]cyclobutyl]pyridine
CID 57625773
2-[2-[5-Cyclopropyl-4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]propan-2-yl]pyridine
CID 57625802
2-[1-[5-Cyclopropyl-4-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazol-3-yl]cyclobutyl]pyridine
CID 57625823
2-[1-[5-Cyclopropyl-4-[2-(2,4,6-trifluorophenyl)ethyl]-1,2,4-triazol-3-yl]cyclobutyl]pyridine
CID 57625899
2-[2-[5-Cyclopropyl-4-[2-(4-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]propan-2-yl]pyridine
CID 57625910
2-(3-Cyclopropyl-1,2,4-triazol-1-yl)-9-(5-fluoro-2-pyridinyl)-12a-methyl-4,7,8,12-tetrahydro-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 123427293
[6-(3-Cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
CID 166083932
[6-[3-(1-Hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 166083945
[6-(3-Butyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-2-yl]methanone
CID 166083989

Frequently Asked Questions

What is the IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(5-fluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(5-fluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 166084098) is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(5-fluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(5-fluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(5-fluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is O=C(N1CC2(CC(Cc3ccc(F)cn3)C2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1.
What is the InChIKey of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(5-fluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is FEBNAALKSMPIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O/c25-18-3-4-19(26-10-18)5-16-6-23(7-16)11-29(12-23)22(32)30-13-24(14-30)8-20(9-24)31-15-27-21(28-31)17-1-2-17/h3-4,10,15-17,20H,1-2,5-9,11-14H2.
What are the key properties of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(5-fluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(5-fluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 436.54 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[(5-fluoro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 166084098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).