(6S,7R)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-7-ol

C17H16N4O — CID 129282886

IUPAC(6S,7R)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-7-ol
SMILESO[C@H]1c2[nH]ncc2CC[C@H]1[C@@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C17H16N4O/c22-17-13(6-5-10-7-19-20-15(10)17)16-12-4-2-1-3-11(12)14-8-18-9-21(14)16/h1-4,7-9,13,16-17,22H,5-6H2,(H,19,20)/t13-,16-,17+/m0/s1
InChIKeyVWGYXQXXGJQGOL-RRQGHBQHSA-N
MW292.34 g/mol
LogP2.47
Rot. Bonds1

About (6S,7R)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-7-ol

(6S,7R)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-7-ol (PubChem CID 129282886) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is (6S,7R)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-7-ol.

Molecular Properties

Compound Name(6S,7R)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-7-ol
PubChem CID129282886
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name(6S,7R)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-7-ol
SMILESO[C@H]1c2[nH]ncc2CC[C@H]1[C@@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C17H16N4O/c22-17-13(6-5-10-7-19-20-15(10)17)16-12-4-2-1-3-11(12)14-8-18-9-21(14)16/h1-4,7-9,13,16-17,22H,5-6H2,(H,19,20)/t13-,16-,17+/m0/s1
InChIKeyVWGYXQXXGJQGOL-RRQGHBQHSA-N
XLogP2.47
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S,7R)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-7-ol?
The IUPAC name of (6S,7R)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-7-ol (CID 129282886) is (6S,7R)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-7-ol.
What is the SMILES notation for (6S,7R)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-7-ol?
The canonical SMILES for (6S,7R)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-7-ol is O[C@H]1c2[nH]ncc2CC[C@H]1[C@@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (6S,7R)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-7-ol?
The InChIKey is VWGYXQXXGJQGOL-RRQGHBQHSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17-13(6-5-10-7-19-20-15(10)17)16-12-4-2-1-3-11(12)14-8-18-9-21(14)16/h1-4,7-9,13,16-17,22H,5-6H2,(H,19,20)/t13-,16-,17+/m0/s1.
What are the key properties of (6S,7R)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-7-ol?
(6S,7R)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-7-ol has a molecular weight of 292.34 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-7-ol is sourced from PubChem (CID 129282886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).