8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one

C23H28FN7O2 — CID 134166631

IUPAC8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESC=C1CCC(N2CCC3(CCN(CC(O)c4cnc(-n5cnnn5)c(F)c4)CC3)C2=O)=C1C
InChIInChI=1S/C23H28FN7O2/c1-15-3-4-19(16(15)2)30-10-7-23(22(30)33)5-8-29(9-6-23)13-20(32)17-11-18(24)21(25-12-17)31-14-26-27-28-31/h11-12,14,20,32H,1,3-10,13H2,2H3
InChIKeyUSOFAIBITPFCQC-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.17
Rot. Bonds5

About 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one

8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 134166631) has the molecular formula C23H28FN7O2 and a molecular weight of 453.52 g/mol. Its IUPAC name is 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID134166631
Molecular FormulaC23H28FN7O2
Molecular Weight453.52 g/mol
Exact Mass453.23
IUPAC Name8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESC=C1CCC(N2CCC3(CCN(CC(O)c4cnc(-n5cnnn5)c(F)c4)CC3)C2=O)=C1C
InChIInChI=1S/C23H28FN7O2/c1-15-3-4-19(16(15)2)30-10-7-23(22(30)33)5-8-29(9-6-23)13-20(32)17-11-18(24)21(25-12-17)31-14-26-27-28-31/h11-12,14,20,32H,1,3-10,13H2,2H3
InChIKeyUSOFAIBITPFCQC-UHFFFAOYSA-N
XLogP2.17
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 134166631) is 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one is C=C1CCC(N2CCC3(CCN(CC(O)c4cnc(-n5cnnn5)c(F)c4)CC3)C2=O)=C1C.
What is the InChIKey of 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is USOFAIBITPFCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7O2/c1-15-3-4-19(16(15)2)30-10-7-23(22(30)33)5-8-29(9-6-23)13-20(32)17-11-18(24)21(25-12-17)31-14-26-27-28-31/h11-12,14,20,32H,1,3-10,13H2,2H3.
What are the key properties of 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one?
8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 453.52 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[5-fluoro-6-(tetrazol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 134166631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).