1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone

C16H27N5O3 — CID 70777964

IUPAC1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone
SMILESCc1cc(N)n(CC(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCCN)n1
InChIInChI=1S/C16H27N5O3/c1-11-8-14(18)21(19-11)10-15(23)20-5-2-16(3-6-20)12(22)9-13(16)24-7-4-17/h8,12-13,22H,2-7,9-10,17-18H2,1H3/t12-,13+/m1/s1
InChIKeyRCARWDFNHVSNMS-OLZOCXBDSA-N
MW337.42 g/mol
LogP-0.51
Rot. Bonds5

About 1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone

1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone (PubChem CID 70777964) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone
PubChem CID70777964
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone
SMILESCc1cc(N)n(CC(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCCN)n1
InChIInChI=1S/C16H27N5O3/c1-11-8-14(18)21(19-11)10-15(23)20-5-2-16(3-6-20)12(22)9-13(16)24-7-4-17/h8,12-13,22H,2-7,9-10,17-18H2,1H3/t12-,13+/m1/s1
InChIKeyRCARWDFNHVSNMS-OLZOCXBDSA-N
XLogP-0.51
TPSA119.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(2-methylphenyl)propan-1-one
CID 72849763
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-fluoro-4-methylphenyl)methanone;hydrochloride
CID 154896563
1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 133110970
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 70754698
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 72850307
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(2-fluorophenyl)propan-1-one
CID 72938779
(2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
CID 72932755
2-(5-amino-3-methylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 86284234
2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]ethanone
CID 91769996
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 154896707
[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 133132279
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone
CID 91830744

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone (CID 70777964) is 1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone is Cc1cc(N)n(CC(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCCN)n1.
What is the InChIKey of 1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone?
The InChIKey is RCARWDFNHVSNMS-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-11-8-14(18)21(19-11)10-15(23)20-5-2-16(3-6-20)12(22)9-13(16)24-7-4-17/h8,12-13,22H,2-7,9-10,17-18H2,1H3/t12-,13+/m1/s1.
What are the key properties of 1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone?
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone has a molecular weight of 337.42 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 70777964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).