3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one

C23H29N7O5 — CID 121315825

IUPAC3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one
SMILESCC1=C(N2CCCOC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)COC1=O
InChIInChI=1S/C23H29N7O5/c1-15-18(13-34-21(15)32)29-8-3-11-35-23(22(29)33)6-9-28(10-7-23)12-19(31)17-4-5-20(25-16(17)2)30-14-24-26-27-30/h4-5,14,19,31H,3,6-13H2,1-2H3
InChIKeyAEUAJUWFIUOPNZ-UHFFFAOYSA-N
MW483.53 g/mol
LogP0.31
Rot. Bonds5

About 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one

3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one (PubChem CID 121315825) has the molecular formula C23H29N7O5 and a molecular weight of 483.53 g/mol. Its IUPAC name is 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one.

Molecular Properties

Compound Name3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one
PubChem CID121315825
Molecular FormulaC23H29N7O5
Molecular Weight483.53 g/mol
Exact Mass483.22
IUPAC Name3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one
SMILESCC1=C(N2CCCOC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)COC1=O
InChIInChI=1S/C23H29N7O5/c1-15-18(13-34-21(15)32)29-8-3-11-35-23(22(29)33)6-9-28(10-7-23)12-19(31)17-4-5-20(25-16(17)2)30-14-24-26-27-30/h4-5,14,19,31H,3,6-13H2,1-2H3
InChIKeyAEUAJUWFIUOPNZ-UHFFFAOYSA-N
XLogP0.31
TPSA135.80 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.53
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one with MolForge

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Launch Full Analysis

Related Compounds

8-[(2R)-2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 121313971
US9850245, Example 6A
CID 121315841
US9850245, Example 22A
CID 121315751
US9850245, Example 19B
CID 121315809
US9850245, Example 25A
CID 121315810
US9850245, Example 4A
CID 121315814
US9850245, Example 20A
CID 121315816
US9850245, Example 19A
CID 121315826
US9850245, Example 6B
CID 121315874
US9850245, Example 2A
CID 121315907
US9850245, Example 45A
CID 121315943
US10513518, Example 2
CID 122452748

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one?
The IUPAC name of 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one (CID 121315825) is 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one.
What is the SMILES notation for 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one?
The canonical SMILES for 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one is CC1=C(N2CCCOC3(CCN(CC(O)c4ccc(-n5cnnn5)nc4C)CC3)C2=O)COC1=O.
What is the InChIKey of 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one?
The InChIKey is AEUAJUWFIUOPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O5/c1-15-18(13-34-21(15)32)29-8-3-11-35-23(22(29)33)6-9-28(10-7-23)12-19(31)17-4-5-20(25-16(17)2)30-14-24-26-27-30/h4-5,14,19,31H,3,6-13H2,1-2H3.
What are the key properties of 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one?
3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one has a molecular weight of 483.53 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-11-(4-methyl-5-oxo-2H-furan-3-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-12-one is sourced from PubChem (CID 121315825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).