(7S,8S)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol

C16H15N5O — CID 129282903

IUPAC(7S,8S)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESO[C@@H]1c2nncn2CC[C@H]1[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C16H15N5O/c22-15-12(5-6-20-9-18-19-16(15)20)14-11-4-2-1-3-10(11)13-7-17-8-21(13)14/h1-4,7-9,12,14-15,22H,5-6H2/t12-,14+,15-/m0/s1
InChIKeyDGOLVHDXBFRZLF-CFVMTHIKSA-N
MW293.33 g/mol
LogP1.80
Rot. Bonds1

About (7S,8S)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol

(7S,8S)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol (PubChem CID 129282903) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is (7S,8S)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol.

Molecular Properties

Compound Name(7S,8S)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
PubChem CID129282903
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name(7S,8S)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESO[C@@H]1c2nncn2CC[C@H]1[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C16H15N5O/c22-15-12(5-6-20-9-18-19-16(15)20)14-11-4-2-1-3-10(11)13-7-17-8-21(13)14/h1-4,7-9,12,14-15,22H,5-6H2/t12-,14+,15-/m0/s1
InChIKeyDGOLVHDXBFRZLF-CFVMTHIKSA-N
XLogP1.80
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7S,8S)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,8S)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The IUPAC name of (7S,8S)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol (CID 129282903) is (7S,8S)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol.
What is the SMILES notation for (7S,8S)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The canonical SMILES for (7S,8S)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol is O[C@@H]1c2nncn2CC[C@H]1[C@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (7S,8S)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The InChIKey is DGOLVHDXBFRZLF-CFVMTHIKSA-N. The full InChI is InChI=1S/C16H15N5O/c22-15-12(5-6-20-9-18-19-16(15)20)14-11-4-2-1-3-10(11)13-7-17-8-21(13)14/h1-4,7-9,12,14-15,22H,5-6H2/t12-,14+,15-/m0/s1.
What are the key properties of (7S,8S)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
(7S,8S)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol has a molecular weight of 293.33 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8S)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol is sourced from PubChem (CID 129282903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).