4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]-2-fluorophenol

C18H15FN6O2 — CID 155573612

IUPAC4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]-2-fluorophenol
SMILESOc1ccc(-n2cc([C@H](O)c3c(C4CC4)ncc4cncn34)nn2)cc1F
InChIInChI=1S/C18H15FN6O2/c19-13-5-11(3-4-15(13)26)25-8-14(22-23-25)18(27)17-16(10-1-2-10)21-7-12-6-20-9-24(12)17/h3-10,18,26-27H,1-2H2/t18-/m0/s1
InChIKeyXIJZXWWLJWXXET-SFHVURJKSA-N
MW366.36 g/mol
LogP2.11
Rot. Bonds4

About 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]-2-fluorophenol

4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]-2-fluorophenol (PubChem CID 155573612) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]-2-fluorophenol.

Molecular Properties

Compound Name4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]-2-fluorophenol
PubChem CID155573612
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC Name4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]-2-fluorophenol
SMILESOc1ccc(-n2cc([C@H](O)c3c(C4CC4)ncc4cncn34)nn2)cc1F
InChIInChI=1S/C18H15FN6O2/c19-13-5-11(3-4-15(13)26)25-8-14(22-23-25)18(27)17-16(10-1-2-10)21-7-12-6-20-9-24(12)17/h3-10,18,26-27H,1-2H2/t18-/m0/s1
InChIKeyXIJZXWWLJWXXET-SFHVURJKSA-N
XLogP2.11
TPSA101.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]-2-fluorophenol with MolForge

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Related Compounds

4-[4-[(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]phenol
CID 155573619
1-[2-chloro-4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]-2-methylpropan-2-ol
CID 155315149
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol
CID 142621387
5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 142621246
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 142621420
3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol
CID 142621330
2-[2-[2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol
CID 142621184
1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
CID 113482604
[1-(4-bromo-3-chloro-2-pyridinyl)triazol-4-yl]-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)methanol
CID 142621319
(1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol
CID 129393826
1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol
CID 81445194
1-[1-(4-chloro-3-fluorophenyl)triazol-4-yl]propan-1-ol
CID 113482589

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]-2-fluorophenol?
The IUPAC name of 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]-2-fluorophenol (CID 155573612) is 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]-2-fluorophenol.
What is the SMILES notation for 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]-2-fluorophenol?
The canonical SMILES for 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]-2-fluorophenol is Oc1ccc(-n2cc([C@H](O)c3c(C4CC4)ncc4cncn34)nn2)cc1F.
What is the InChIKey of 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]-2-fluorophenol?
The InChIKey is XIJZXWWLJWXXET-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15FN6O2/c19-13-5-11(3-4-15(13)26)25-8-14(22-23-25)18(27)17-16(10-1-2-10)21-7-12-6-20-9-24(12)17/h3-10,18,26-27H,1-2H2/t18-/m0/s1.
What are the key properties of 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]-2-fluorophenol?
4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]-2-fluorophenol has a molecular weight of 366.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]-2-fluorophenol is sourced from PubChem (CID 155573612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).