[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone

C24H30F3N7O2 — CID 169104505

IUPAC[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCn1ncc(C(F)(F)F)c1CC1CC2(C1)CN(C(=O)N1CC3(CC(c4nc(C5(O)CC5)n[nH]4)C3)C1)C2
InChIInChI=1S/C24H30F3N7O2/c1-32-17(16(9-28-32)24(25,26)27)4-14-5-21(6-14)10-33(11-21)20(35)34-12-22(13-34)7-15(8-22)18-29-19(31-30-18)23(36)2-3-23/h9,14-15,36H,2-8,10-13H2,1H3,(H,29,30,31)
InChIKeyMTICISWXPBPELF-UHFFFAOYSA-N
MW505.55 g/mol
LogP2.79
Rot. Bonds4

About [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone

[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 169104505) has the molecular formula C24H30F3N7O2 and a molecular weight of 505.55 g/mol. Its IUPAC name is [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID169104505
Molecular FormulaC24H30F3N7O2
Molecular Weight505.55 g/mol
Exact Mass505.24
IUPAC Name[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCn1ncc(C(F)(F)F)c1CC1CC2(C1)CN(C(=O)N1CC3(CC(c4nc(C5(O)CC5)n[nH]4)C3)C1)C2
InChIInChI=1S/C24H30F3N7O2/c1-32-17(16(9-28-32)24(25,26)27)4-14-5-21(6-14)10-33(11-21)20(35)34-12-22(13-34)7-15(8-22)18-29-19(31-30-18)23(36)2-3-23/h9,14-15,36H,2-8,10-13H2,1H3,(H,29,30,31)
InChIKeyMTICISWXPBPELF-UHFFFAOYSA-N
XLogP2.79
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.55
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone 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

CID 171533014
CID 171533014
CID 171533170
CID 171533170
CID 169104254
CID 169104254
CID 169104256
CID 169104256
CID 169104278
CID 169104278
CID 169104294
CID 169104294
CID 169104357
CID 169104357
CID 169104362
CID 169104362
CID 169104379
CID 169104379
CID 169104392
CID 169104392
CID 169104408
CID 169104408
CID 169104419
CID 169104419

Frequently Asked Questions

What is the IUPAC name of [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 169104505) is [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is Cn1ncc(C(F)(F)F)c1CC1CC2(C1)CN(C(=O)N1CC3(CC(c4nc(C5(O)CC5)n[nH]4)C3)C1)C2.
What is the InChIKey of [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is MTICISWXPBPELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N7O2/c1-32-17(16(9-28-32)24(25,26)27)4-14-5-21(6-14)10-33(11-21)20(35)34-12-22(13-34)7-15(8-22)18-29-19(31-30-18)23(36)2-3-23/h9,14-15,36H,2-8,10-13H2,1H3,(H,29,30,31).
What are the key properties of [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 505.55 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 169104505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).