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

C25H33N7O2 — CID 169105041

IUPAC[6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCc1onc(C2CC2)c1CN1CC2(C1)CN(C(=O)N1CC3(CC(c4n[nH]c(C5CC5)n4)C3)C1)C2
InChIInChI=1S/C25H33N7O2/c1-15-19(20(29-34-15)16-2-3-16)8-30-9-25(10-30)13-32(14-25)23(33)31-11-24(12-31)6-18(7-24)22-26-21(27-28-22)17-4-5-17/h16-18H,2-14H2,1H3,(H,26,27,28)
InChIKeyZNICYXADWYPSOL-UHFFFAOYSA-N
MW463.59 g/mol
LogP2.97
Rot. Bonds5

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

[6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 169105041) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name[6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID169105041
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC Name[6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCc1onc(C2CC2)c1CN1CC2(C1)CN(C(=O)N1CC3(CC(c4n[nH]c(C5CC5)n4)C3)C1)C2
InChIInChI=1S/C25H33N7O2/c1-15-19(20(29-34-15)16-2-3-16)8-30-9-25(10-30)13-32(14-25)23(33)31-11-24(12-31)6-18(7-24)22-26-21(27-28-22)17-4-5-17/h16-18H,2-14H2,1H3,(H,26,27,28)
InChIKeyZNICYXADWYPSOL-UHFFFAOYSA-N
XLogP2.97
TPSA94.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone (CID 169105041) is [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone is Cc1onc(C2CC2)c1CN1CC2(C1)CN(C(=O)N1CC3(CC(c4n[nH]c(C5CC5)n4)C3)C1)C2.
What is the InChIKey of [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is ZNICYXADWYPSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-15-19(20(29-34-15)16-2-3-16)8-30-9-25(10-30)13-32(14-25)23(33)31-11-24(12-31)6-18(7-24)22-26-21(27-28-22)17-4-5-17/h16-18H,2-14H2,1H3,(H,26,27,28).
What are the key properties of [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
[6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 463.59 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 169105041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).