8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one

C23H29N7O4 — CID 90461764

IUPAC8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCN(C(C)(C)C(O)c4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O
InChIInChI=1S/C23H29N7O4/c1-15-17(13-34-20(15)32)29-11-8-23(21(29)33)6-9-28(10-7-23)22(2,3)19(31)16-4-5-18(24-12-16)30-14-25-26-27-30/h4-5,12,14,19,31H,6-11,13H2,1-3H3
InChIKeyPYRDIHRWZIPEEY-UHFFFAOYSA-N
MW467.53 g/mol
LogP1.01
Rot. Bonds5

About 8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one

8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 90461764) has the molecular formula C23H29N7O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is 8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID90461764
Molecular FormulaC23H29N7O4
Molecular Weight467.53 g/mol
Exact Mass467.23
IUPAC Name8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(N2CCC3(CCN(C(C)(C)C(O)c4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O
InChIInChI=1S/C23H29N7O4/c1-15-17(13-34-20(15)32)29-11-8-23(21(29)33)6-9-28(10-7-23)22(2,3)19(31)16-4-5-18(24-12-16)30-14-25-26-27-30/h4-5,12,14,19,31H,6-11,13H2,1-3H3
InChIKeyPYRDIHRWZIPEEY-UHFFFAOYSA-N
XLogP1.01
TPSA126.57 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 90461764) is 8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is CC1=C(N2CCC3(CCN(C(C)(C)C(O)c4ccc(-n5cnnn5)nc4)CC3)C2=O)COC1=O.
What is the InChIKey of 8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is PYRDIHRWZIPEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O4/c1-15-17(13-34-20(15)32)29-11-8-23(21(29)33)6-9-28(10-7-23)22(2,3)19(31)16-4-5-18(24-12-16)30-14-25-26-27-30/h4-5,12,14,19,31H,6-11,13H2,1-3H3.
What are the key properties of 8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 467.53 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-hydroxy-2-methyl-1-[6-(tetrazol-1-yl)-3-pyridinyl]propan-2-yl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 90461764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).