6-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane

C20H28FN3O4S — CID 169144027

IUPAC6-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCOc1cc(S(=O)(=O)N2CCC3(CCC(N4CC5(COC5)C4)C3)CC2)c(F)cn1
InChIInChI=1S/C20H28FN3O4S/c1-27-18-8-17(16(21)10-22-18)29(25,26)24-6-4-19(5-7-24)3-2-15(9-19)23-11-20(12-23)13-28-14-20/h8,10,15H,2-7,9,11-14H2,1H3
InChIKeyAJQIMYIOZZBFTF-UHFFFAOYSA-N
MW425.53 g/mol
LogP1.88
Rot. Bonds4

About 6-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane

6-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 169144027) has the molecular formula C20H28FN3O4S and a molecular weight of 425.53 g/mol. Its IUPAC name is 6-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID169144027
Molecular FormulaC20H28FN3O4S
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC Name6-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCOc1cc(S(=O)(=O)N2CCC3(CCC(N4CC5(COC5)C4)C3)CC2)c(F)cn1
InChIInChI=1S/C20H28FN3O4S/c1-27-18-8-17(16(21)10-22-18)29(25,26)24-6-4-19(5-7-24)3-2-15(9-19)23-11-20(12-23)13-28-14-20/h8,10,15H,2-7,9,11-14H2,1H3
InChIKeyAJQIMYIOZZBFTF-UHFFFAOYSA-N
XLogP1.88
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane (CID 169144027) is 6-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane is COc1cc(S(=O)(=O)N2CCC3(CCC(N4CC5(COC5)C4)C3)CC2)c(F)cn1.
What is the InChIKey of 6-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is AJQIMYIOZZBFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O4S/c1-27-18-8-17(16(21)10-22-18)29(25,26)24-6-4-19(5-7-24)3-2-15(9-19)23-11-20(12-23)13-28-14-20/h8,10,15H,2-7,9,11-14H2,1H3.
What are the key properties of 6-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane?
6-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 425.53 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-[(5-fluoro-2-methoxy-4-pyridinyl)sulfonyl]-8-azaspiro[4.5]decan-3-yl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 169144027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).