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

C22H27N7O5 — CID 90461601

IUPAC8-[2-hydroxy-2-[2-methoxy-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1nc(-n2cnnn2)ccc1C(O)CN1CCC2(CC1)CCN(C1=C(C)C(=O)OC1)C2=O
InChIInChI=1S/C22H27N7O5/c1-14-16(12-34-20(14)31)28-10-7-22(21(28)32)5-8-27(9-6-22)11-17(30)15-3-4-18(24-19(15)33-2)29-13-23-25-26-29/h3-4,13,17,30H,5-12H2,1-2H3
InChIKeyGKPPWISWQQWJMP-UHFFFAOYSA-N
MW469.50 g/mol
LogP0.24
Rot. Bonds6

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

8-[2-hydroxy-2-[2-methoxy-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 90461601) has the molecular formula C22H27N7O5 and a molecular weight of 469.50 g/mol. Its IUPAC name is 8-[2-hydroxy-2-[2-methoxy-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-hydroxy-2-[2-methoxy-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID90461601
Molecular FormulaC22H27N7O5
Molecular Weight469.50 g/mol
Exact Mass469.21
IUPAC Name8-[2-hydroxy-2-[2-methoxy-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1nc(-n2cnnn2)ccc1C(O)CN1CCC2(CC1)CCN(C1=C(C)C(=O)OC1)C2=O
InChIInChI=1S/C22H27N7O5/c1-14-16(12-34-20(14)31)28-10-7-22(21(28)32)5-8-27(9-6-22)11-17(30)15-3-4-18(24-19(15)33-2)29-13-23-25-26-29/h3-4,13,17,30H,5-12H2,1-2H3
InChIKeyGKPPWISWQQWJMP-UHFFFAOYSA-N
XLogP0.24
TPSA135.80 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.50
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 8-[2-hydroxy-2-[2-methoxy-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-hydroxy-2-[2-methoxy-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 90461601) is 8-[2-hydroxy-2-[2-methoxy-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-hydroxy-2-[2-methoxy-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-hydroxy-2-[2-methoxy-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is COc1nc(-n2cnnn2)ccc1C(O)CN1CCC2(CC1)CCN(C1=C(C)C(=O)OC1)C2=O.
What is the InChIKey of 8-[2-hydroxy-2-[2-methoxy-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is GKPPWISWQQWJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O5/c1-14-16(12-34-20(14)31)28-10-7-22(21(28)32)5-8-27(9-6-22)11-17(30)15-3-4-18(24-19(15)33-2)29-13-23-25-26-29/h3-4,13,17,30H,5-12H2,1-2H3.
What are the key properties of 8-[2-hydroxy-2-[2-methoxy-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
8-[2-hydroxy-2-[2-methoxy-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 469.50 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-hydroxy-2-[2-methoxy-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 90461601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).