[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C16H23N3O3 — CID 70752946

IUPAC[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCC2(CC1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C16H23N3O3/c20-12-9-13(21)16(12)5-7-19(8-6-16)15(22)14-10-3-1-2-4-11(10)17-18-14/h12-13,20-21H,1-9H2,(H,17,18)/t12-,13+
InChIKeyLJANXQPWBJFVKU-BETUJISGSA-N
MW305.38 g/mol
LogP0.64
Rot. Bonds1

About [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 70752946) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID70752946
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCC2(CC1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C16H23N3O3/c20-12-9-13(21)16(12)5-7-19(8-6-16)15(22)14-10-3-1-2-4-11(10)17-18-14/h12-13,20-21H,1-9H2,(H,17,18)/t12-,13+
InChIKeyLJANXQPWBJFVKU-BETUJISGSA-N
XLogP0.64
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 70752946) is [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is O=C(c1n[nH]c2c1CCCC2)N1CCC2(CC1)[C@H](O)C[C@@H]2O.
What is the InChIKey of [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is LJANXQPWBJFVKU-BETUJISGSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-12-9-13(21)16(12)5-7-19(8-6-16)15(22)14-10-3-1-2-4-11(10)17-18-14/h12-13,20-21H,1-9H2,(H,17,18)/t12-,13+.
What are the key properties of [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 305.38 g/mol, XLogP of 0.64, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 70752946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).