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

C17H15FN4O — CID 129282713

IUPAC3-fluoro-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
SMILESOC1c2c(F)cnn2CCC1C1c2ccccc2-c2cncn21
InChIInChI=1S/C17H15FN4O/c18-13-7-20-22-6-5-12(17(23)16(13)22)15-11-4-2-1-3-10(11)14-8-19-9-21(14)15/h1-4,7-9,12,15,17,23H,5-6H2
InChIKeyHIZFDNAQMMDWGP-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.54
Rot. Bonds1

About 3-fluoro-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol

3-fluoro-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol (PubChem CID 129282713) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-fluoro-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol.

Molecular Properties

Compound Name3-fluoro-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
PubChem CID129282713
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name3-fluoro-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
SMILESOC1c2c(F)cnn2CCC1C1c2ccccc2-c2cncn21
InChIInChI=1S/C17H15FN4O/c18-13-7-20-22-6-5-12(17(23)16(13)22)15-11-4-2-1-3-10(11)14-8-19-9-21(14)15/h1-4,7-9,12,15,17,23H,5-6H2
InChIKeyHIZFDNAQMMDWGP-UHFFFAOYSA-N
XLogP2.54
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The IUPAC name of 3-fluoro-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol (CID 129282713) is 3-fluoro-5-(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 3-fluoro-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The canonical SMILES for 3-fluoro-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol is OC1c2c(F)cnn2CCC1C1c2ccccc2-c2cncn21.
What is the InChIKey of 3-fluoro-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The InChIKey is HIZFDNAQMMDWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-13-7-20-22-6-5-12(17(23)16(13)22)15-11-4-2-1-3-10(11)14-8-19-9-21(14)15/h1-4,7-9,12,15,17,23H,5-6H2.
What are the key properties of 3-fluoro-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
3-fluoro-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol has a molecular weight of 310.33 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol is sourced from PubChem (CID 129282713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).