[(R)-cyano-[(3S)-oxolan-3-yl]methyl] 1H-indazole-7-carboxylate

C14H13N3O3 — CID 97352989

IUPAC[(R)-cyano-[(3S)-oxolan-3-yl]methyl] 1H-indazole-7-carboxylate
SMILESN#C[C@H](OC(=O)c1cccc2cn[nH]c12)[C@H]1CCOC1
InChIInChI=1S/C14H13N3O3/c15-6-12(10-4-5-19-8-10)20-14(18)11-3-1-2-9-7-16-17-13(9)11/h1-3,7,10,12H,4-5,8H2,(H,16,17)/t10-,12-/m0/s1
InChIKeyWKIOHDDIQMTXQI-JQWIXIFHSA-N
MW271.28 g/mol
LogP1.65
Rot. Bonds3

About [(R)-cyano-[(3S)-oxolan-3-yl]methyl] 1H-indazole-7-carboxylate

[(R)-cyano-[(3S)-oxolan-3-yl]methyl] 1H-indazole-7-carboxylate (PubChem CID 97352989) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is [(R)-cyano-[(3S)-oxolan-3-yl]methyl] 1H-indazole-7-carboxylate.

Molecular Properties

Compound Name[(R)-cyano-[(3S)-oxolan-3-yl]methyl] 1H-indazole-7-carboxylate
PubChem CID97352989
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name[(R)-cyano-[(3S)-oxolan-3-yl]methyl] 1H-indazole-7-carboxylate
SMILESN#C[C@H](OC(=O)c1cccc2cn[nH]c12)[C@H]1CCOC1
InChIInChI=1S/C14H13N3O3/c15-6-12(10-4-5-19-8-10)20-14(18)11-3-1-2-9-7-16-17-13(9)11/h1-3,7,10,12H,4-5,8H2,(H,16,17)/t10-,12-/m0/s1
InChIKeyWKIOHDDIQMTXQI-JQWIXIFHSA-N
XLogP1.65
TPSA88.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(R)-cyano-[(3S)-oxolan-3-yl]methyl] 1H-indazole-7-carboxylate?
The IUPAC name of [(R)-cyano-[(3S)-oxolan-3-yl]methyl] 1H-indazole-7-carboxylate (CID 97352989) is [(R)-cyano-[(3S)-oxolan-3-yl]methyl] 1H-indazole-7-carboxylate.
What is the SMILES notation for [(R)-cyano-[(3S)-oxolan-3-yl]methyl] 1H-indazole-7-carboxylate?
The canonical SMILES for [(R)-cyano-[(3S)-oxolan-3-yl]methyl] 1H-indazole-7-carboxylate is N#C[C@H](OC(=O)c1cccc2cn[nH]c12)[C@H]1CCOC1.
What is the InChIKey of [(R)-cyano-[(3S)-oxolan-3-yl]methyl] 1H-indazole-7-carboxylate?
The InChIKey is WKIOHDDIQMTXQI-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H13N3O3/c15-6-12(10-4-5-19-8-10)20-14(18)11-3-1-2-9-7-16-17-13(9)11/h1-3,7,10,12H,4-5,8H2,(H,16,17)/t10-,12-/m0/s1.
What are the key properties of [(R)-cyano-[(3S)-oxolan-3-yl]methyl] 1H-indazole-7-carboxylate?
[(R)-cyano-[(3S)-oxolan-3-yl]methyl] 1H-indazole-7-carboxylate has a molecular weight of 271.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-cyano-[(3S)-oxolan-3-yl]methyl] 1H-indazole-7-carboxylate is sourced from PubChem (CID 97352989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).