[7-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.5]nonan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

C26H32F2N6O2 — CID 169104354

IUPAC[7-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.5]nonan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(N1CC2(CCC(Cc3ncc(F)cc3F)CC2)C1)N1CC2(CC(c3nc(C4(O)CC4)n[nH]3)C2)C1
InChIInChI=1S/C26H32F2N6O2/c27-18-8-19(28)20(29-11-18)7-16-1-3-24(4-2-16)12-33(13-24)23(35)34-14-25(15-34)9-17(10-25)21-30-22(32-31-21)26(36)5-6-26/h8,11,16-17,36H,1-7,9-10,12-15H2,(H,30,31,32)
InChIKeyDXAYXPFTBRALRH-UHFFFAOYSA-N
MW498.58 g/mol
LogP3.49
Rot. Bonds4

About [7-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.5]nonan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

[7-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.5]nonan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 169104354) has the molecular formula C26H32F2N6O2 and a molecular weight of 498.58 g/mol. Its IUPAC name is [7-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.5]nonan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name[7-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.5]nonan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID169104354
Molecular FormulaC26H32F2N6O2
Molecular Weight498.58 g/mol
Exact Mass498.26
IUPAC Name[7-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.5]nonan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(N1CC2(CCC(Cc3ncc(F)cc3F)CC2)C1)N1CC2(CC(c3nc(C4(O)CC4)n[nH]3)C2)C1
InChIInChI=1S/C26H32F2N6O2/c27-18-8-19(28)20(29-11-18)7-16-1-3-24(4-2-16)12-33(13-24)23(35)34-14-25(15-34)9-17(10-25)21-30-22(32-31-21)26(36)5-6-26/h8,11,16-17,36H,1-7,9-10,12-15H2,(H,30,31,32)
InChIKeyDXAYXPFTBRALRH-UHFFFAOYSA-N
XLogP3.49
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [7-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.5]nonan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.5]nonan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of [7-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.5]nonan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 169104354) is [7-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.5]nonan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for [7-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.5]nonan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for [7-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.5]nonan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is O=C(N1CC2(CCC(Cc3ncc(F)cc3F)CC2)C1)N1CC2(CC(c3nc(C4(O)CC4)n[nH]3)C2)C1.
What is the InChIKey of [7-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.5]nonan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is DXAYXPFTBRALRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N6O2/c27-18-8-19(28)20(29-11-18)7-16-1-3-24(4-2-16)12-33(13-24)23(35)34-14-25(15-34)9-17(10-25)21-30-22(32-31-21)26(36)5-6-26/h8,11,16-17,36H,1-7,9-10,12-15H2,(H,30,31,32).
What are the key properties of [7-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.5]nonan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
[7-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.5]nonan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 498.58 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(3,5-difluoro-2-pyridinyl)methyl]-2-azaspiro[3.5]nonan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 169104354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).