(7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol

C17H16N4O — CID 129282883

IUPAC(7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
SMILESO[C@H]1c2nccn2CC[C@@H]1[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C17H16N4O/c22-16-13(5-7-20-8-6-19-17(16)20)15-12-4-2-1-3-11(12)14-9-18-10-21(14)15/h1-4,6,8-10,13,15-16,22H,5,7H2/t13-,15-,16-/m1/s1
InChIKeyHMKSUGGPPDVHSQ-FVQBIDKESA-N
MW292.34 g/mol
LogP2.40
Rot. Bonds1

About (7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol

(7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol (PubChem CID 129282883) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is (7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol.

Molecular Properties

Compound Name(7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
PubChem CID129282883
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name(7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
SMILESO[C@H]1c2nccn2CC[C@@H]1[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C17H16N4O/c22-16-13(5-7-20-8-6-19-17(16)20)15-12-4-2-1-3-11(12)14-9-18-10-21(14)15/h1-4,6,8-10,13,15-16,22H,5,7H2/t13-,15-,16-/m1/s1
InChIKeyHMKSUGGPPDVHSQ-FVQBIDKESA-N
XLogP2.40
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol with MolForge

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Related Compounds

trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919
5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol
CID 129282432
(4S,5R)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-4-ol
CID 137405998
(4R,5S)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 137405827
(7R,8S)-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinolin-8-ol
CID 129296780
7-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinolin-8-ol
CID 129296165
(5R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinoxalin-5-ol
CID 129296075
(7R,8R)-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinolin-8-ol
CID 129283070
(1S,2S)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129282975
(7S,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroisoquinolin-8-ol
CID 129283762
(5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol
CID 129296383
(5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol
CID 137405791

Frequently Asked Questions

What is the IUPAC name of (7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol?
The IUPAC name of (7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol (CID 129282883) is (7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol.
What is the SMILES notation for (7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol?
The canonical SMILES for (7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol is O[C@H]1c2nccn2CC[C@@H]1[C@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol?
The InChIKey is HMKSUGGPPDVHSQ-FVQBIDKESA-N. The full InChI is InChI=1S/C17H16N4O/c22-16-13(5-7-20-8-6-19-17(16)20)15-12-4-2-1-3-11(12)14-9-18-10-21(14)15/h1-4,6,8-10,13,15-16,22H,5,7H2/t13-,15-,16-/m1/s1.
What are the key properties of (7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol?
(7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol has a molecular weight of 292.34 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol is sourced from PubChem (CID 129282883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).