(1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol

C18H24N4O3 — CID 97216279

IUPAC(1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@@H]1C[C@@H](O)C12CCN(c1cc(-c3nc(C)no3)ccn1)CC2
InChIInChI=1S/C18H24N4O3/c1-3-24-15-11-14(23)18(15)5-8-22(9-6-18)16-10-13(4-7-19-16)17-20-12(2)21-25-17/h4,7,10,14-15,23H,3,5-6,8-9,11H2,1-2H3/t14-,15-/m1/s1
InChIKeySSDMMOQOPAAYCH-HUUCEWRRSA-N
MW344.42 g/mol
LogP2.20
Rot. Bonds4

About (1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol

(1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol (PubChem CID 97216279) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol
PubChem CID97216279
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@@H]1C[C@@H](O)C12CCN(c1cc(-c3nc(C)no3)ccn1)CC2
InChIInChI=1S/C18H24N4O3/c1-3-24-15-11-14(23)18(15)5-8-22(9-6-18)16-10-13(4-7-19-16)17-20-12(2)21-25-17/h4,7,10,14-15,23H,3,5-6,8-9,11H2,1-2H3/t14-,15-/m1/s1
InChIKeySSDMMOQOPAAYCH-HUUCEWRRSA-N
XLogP2.20
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 164688984
(1R,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 124736554
(1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 124736555
3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 71978085
5-[2-(2,8-diazaspiro[4.5]decan-2-yl)-4-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 56713734
(3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 166619181
(1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 97321248
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56770081
3-chloro-6-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pyridine-2-carbonitrile
CID 75373310
2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol
CID 46985548
N-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 169413534
4-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)benzonitrile
CID 86777838

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol (CID 97216279) is (1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol is CCO[C@@H]1C[C@@H](O)C12CCN(c1cc(-c3nc(C)no3)ccn1)CC2.
What is the InChIKey of (1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is SSDMMOQOPAAYCH-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-24-15-11-14(23)18(15)5-8-22(9-6-18)16-10-13(4-7-19-16)17-20-12(2)21-25-17/h4,7,10,14-15,23H,3,5-6,8-9,11H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol?
(1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 344.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 97216279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).