3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one

C22H29N7O3 — CID 118197048

IUPAC3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one
SMILESCC1=C(N2CCC3(CCN(C[C@@H](O)c4ccc(-n5cnnn5)cn4)CC3)CC2)COC1=O
InChIInChI=1S/C22H29N7O3/c1-16-19(14-32-21(16)31)28-10-6-22(7-11-28)4-8-27(9-5-22)13-20(30)18-3-2-17(12-23-18)29-15-24-25-26-29/h2-3,12,15,20,30H,4-11,13-14H2,1H3/t20-/m1/s1
InChIKeyPOSPILLSBVXLHU-HXUWFJFHSA-N
MW439.52 g/mol
LogP1.10
Rot. Bonds5

About 3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one

3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one (PubChem CID 118197048) has the molecular formula C22H29N7O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one
PubChem CID118197048
Molecular FormulaC22H29N7O3
Molecular Weight439.52 g/mol
Exact Mass439.23
IUPAC Name3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one
SMILESCC1=C(N2CCC3(CCN(C[C@@H](O)c4ccc(-n5cnnn5)cn4)CC3)CC2)COC1=O
InChIInChI=1S/C22H29N7O3/c1-16-19(14-32-21(16)31)28-10-6-22(7-11-28)4-8-27(9-5-22)13-20(30)18-3-2-17(12-23-18)29-15-24-25-26-29/h2-3,12,15,20,30H,4-11,13-14H2,1H3/t20-/m1/s1
InChIKeyPOSPILLSBVXLHU-HXUWFJFHSA-N
XLogP1.10
TPSA109.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[9-[2-hydroxy-2-[5-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one
CID 122668709
3-[55-[2-hydroxy-2-[6-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,55-diazaspiro[5.51]heptapentacontan-3-yl]-4-methyl-2H-furan-5-one
CID 118197335
4-methyl-3-[9-[2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2H-furan-5-one
CID 144877180
3-[3-[2-hydroxy-2-[3-methyl-5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-7-oxa-3,10-diazaspiro[5.6]dodecan-10-yl]-4-methyl-2H-furan-5-one
CID 130466458
3-[9-[(2S)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylcyclobut-3-ene-1,2-dione
CID 118196909
7-[2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,7-diazaspiro[3.5]nonan-3-one
CID 121345140
3-[9-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2H-furan-5-one
CID 123809951
3-[9-[(2S)-2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-methylcyclopent-2-en-1-one
CID 118196885
N-[[(3S)-1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methylpyrrolidin-3-yl]methyl]-5-(tetrazol-1-yl)pyridine-2-carboxamide;N-[[(3R)-1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-methylpyrrolidin-3-yl]methyl]-5-(tetrazol-1-yl)pyridine-2-carboxamide
CID 158588295
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
3-[1-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]piperidin-4-yl]-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one
CID 122454048
9-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-1'-(4-methyl-5-oxo-2H-furan-3-yl)spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one
CID 135184243

Frequently Asked Questions

What is the IUPAC name of 3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one?
The IUPAC name of 3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one (CID 118197048) is 3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one.
What is the SMILES notation for 3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one?
The canonical SMILES for 3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one is CC1=C(N2CCC3(CCN(C[C@@H](O)c4ccc(-n5cnnn5)cn4)CC3)CC2)COC1=O.
What is the InChIKey of 3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one?
The InChIKey is POSPILLSBVXLHU-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29N7O3/c1-16-19(14-32-21(16)31)28-10-6-22(7-11-28)4-8-27(9-5-22)13-20(30)18-3-2-17(12-23-18)29-15-24-25-26-29/h2-3,12,15,20,30H,4-11,13-14H2,1H3/t20-/m1/s1.
What are the key properties of 3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one?
3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one has a molecular weight of 439.52 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[(2R)-2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-4-methyl-2H-furan-5-one is sourced from PubChem (CID 118197048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).