(4R,5R)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol

C17H16N4O — CID 129282946

IUPAC(4R,5R)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
SMILESO[C@H]1c2ccnn2CC[C@@H]1[C@@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C17H16N4O/c22-17-13(6-8-21-14(17)5-7-19-21)16-12-4-2-1-3-11(12)15-9-18-10-20(15)16/h1-5,7,9-10,13,16-17,22H,6,8H2/t13-,16+,17-/m1/s1
InChIKeyIFVZLNHSMBKMSZ-XOKHGSTOSA-N
MW292.34 g/mol
LogP2.40
Rot. Bonds1

About (4R,5R)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol

(4R,5R)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol (PubChem CID 129282946) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is (4R,5R)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol.

Molecular Properties

Compound Name(4R,5R)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
PubChem CID129282946
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name(4R,5R)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
SMILESO[C@H]1c2ccnn2CC[C@@H]1[C@@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C17H16N4O/c22-17-13(6-8-21-14(17)5-7-19-21)16-12-4-2-1-3-11(12)15-9-18-10-20(15)16/h1-5,7,9-10,13,16-17,22H,6,8H2/t13-,16+,17-/m1/s1
InChIKeyIFVZLNHSMBKMSZ-XOKHGSTOSA-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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The IUPAC name of (4R,5R)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol (CID 129282946) is (4R,5R)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol.
What is the SMILES notation for (4R,5R)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The canonical SMILES for (4R,5R)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol is O[C@H]1c2ccnn2CC[C@@H]1[C@@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (4R,5R)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The InChIKey is IFVZLNHSMBKMSZ-XOKHGSTOSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17-13(6-8-21-14(17)5-7-19-21)16-12-4-2-1-3-11(12)15-9-18-10-20(15)16/h1-5,7,9-10,13,16-17,22H,6,8H2/t13-,16+,17-/m1/s1.
What are the key properties of (4R,5R)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
(4R,5R)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-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 (4R,5R)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol is sourced from PubChem (CID 129282946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).