(1R)-1-(1-ethyl-4-fluoropyrazol-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol

C17H17FN4O — CID 129296695

IUPAC(1R)-1-(1-ethyl-4-fluoropyrazol-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
SMILESCCn1ncc(F)c1[C@H](O)C[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C17H17FN4O/c1-2-22-17(13(18)8-20-22)16(23)7-14-11-5-3-4-6-12(11)15-9-19-10-21(14)15/h3-6,8-10,14,16,23H,2,7H2,1H3/t14-,16+/m0/s1
InChIKeyLUUDANPEKFOEHO-GOEBONIOSA-N
MW312.35 g/mol
LogP2.93
Rot. Bonds4

About (1R)-1-(1-ethyl-4-fluoropyrazol-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol

(1R)-1-(1-ethyl-4-fluoropyrazol-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol (PubChem CID 129296695) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is (1R)-1-(1-ethyl-4-fluoropyrazol-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(1-ethyl-4-fluoropyrazol-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
PubChem CID129296695
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name(1R)-1-(1-ethyl-4-fluoropyrazol-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
SMILESCCn1ncc(F)c1[C@H](O)C[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C17H17FN4O/c1-2-22-17(13(18)8-20-22)16(23)7-14-11-5-3-4-6-12(11)15-9-19-10-21(14)15/h3-6,8-10,14,16,23H,2,7H2,1H3/t14-,16+/m0/s1
InChIKeyLUUDANPEKFOEHO-GOEBONIOSA-N
XLogP2.93
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(1-ethyl-4-fluoropyrazol-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol with MolForge

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Related Compounds

US10233190, Example 1474
CID 66558723
US10233190, Example 1501
CID 66558811
US10233190, Example 1502
CID 66558888
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanol
CID 70874868
(4S,5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 129282703
(4S,5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
CID 129283030
(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
US9018217, {5-Methyl-2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-methanol
CID 66636097
US10899764, Example 41
CID 122650491
(1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-phenylpropan-1-ol
CID 155517551
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol
CID 155551998
2-{2-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]-1H-imidazol-1-yl}-1-phenylethanol
CID 70722138

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-ethyl-4-fluoropyrazol-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol?
The IUPAC name of (1R)-1-(1-ethyl-4-fluoropyrazol-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol (CID 129296695) is (1R)-1-(1-ethyl-4-fluoropyrazol-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol.
What is the SMILES notation for (1R)-1-(1-ethyl-4-fluoropyrazol-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol?
The canonical SMILES for (1R)-1-(1-ethyl-4-fluoropyrazol-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol is CCn1ncc(F)c1[C@H](O)C[C@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (1R)-1-(1-ethyl-4-fluoropyrazol-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol?
The InChIKey is LUUDANPEKFOEHO-GOEBONIOSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-2-22-17(13(18)8-20-22)16(23)7-14-11-5-3-4-6-12(11)15-9-19-10-21(14)15/h3-6,8-10,14,16,23H,2,7H2,1H3/t14-,16+/m0/s1.
What are the key properties of (1R)-1-(1-ethyl-4-fluoropyrazol-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol?
(1R)-1-(1-ethyl-4-fluoropyrazol-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol has a molecular weight of 312.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-ethyl-4-fluoropyrazol-5-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol is sourced from PubChem (CID 129296695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).