7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine

C18H19FN4O2S — CID 155222822

IUPAC7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine
SMILESCSc1ncnn2c([C@@H]3O[C@H](COCc4ccccc4)C[C@@H]3F)cnc12
InChIInChI=1S/C18H19FN4O2S/c1-26-18-17-20-8-15(23(17)22-11-21-18)16-14(19)7-13(25-16)10-24-9-12-5-3-2-4-6-12/h2-6,8,11,13-14,16H,7,9-10H2,1H3/t13-,14-,16+/m0/s1
InChIKeyCRGISGTUJJIRKX-OFQRWUPVSA-N
MW374.44 g/mol
LogP3.23
Rot. Bonds6

About 7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine

7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine (PubChem CID 155222822) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is 7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine
PubChem CID155222822
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine
SMILESCSc1ncnn2c([C@@H]3O[C@H](COCc4ccccc4)C[C@@H]3F)cnc12
InChIInChI=1S/C18H19FN4O2S/c1-26-18-17-20-8-15(23(17)22-11-21-18)16-14(19)7-13(25-16)10-24-9-12-5-3-2-4-6-12/h2-6,8,11,13-14,16H,7,9-10H2,1H3/t13-,14-,16+/m0/s1
InChIKeyCRGISGTUJJIRKX-OFQRWUPVSA-N
XLogP3.23
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4R,5R)-3-fluoro-2-(4-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-phenylmethoxy-5-(phenylmethoxymethyl)cyclopentan-1-one
CID 175724383
2-(4-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 123881018
4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 145263724
4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine
CID 144588953
7-[(2S,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-4-amine
CID 71745547
7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-N-cyclopentylimidazo[2,1-f][1,2,4]triazin-4-amine
CID 142613244
4-chloro-7-[3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine
CID 91333885
2-chloro-7-[(3R,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 167132890
7-[(3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylpyrrolo[2,1-f][1,2,4]triazine
CID 163997566
(2R)-2-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 175943674
(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71106611
7-[(2S,3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-4-amine
CID 58013249

Frequently Asked Questions

What is the IUPAC name of 7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine?
The IUPAC name of 7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine (CID 155222822) is 7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine?
The canonical SMILES for 7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine is CSc1ncnn2c([C@@H]3O[C@H](COCc4ccccc4)C[C@@H]3F)cnc12.
What is the InChIKey of 7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine?
The InChIKey is CRGISGTUJJIRKX-OFQRWUPVSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-26-18-17-20-8-15(23(17)22-11-21-18)16-14(19)7-13(25-16)10-24-9-12-5-3-2-4-6-12/h2-6,8,11,13-14,16H,7,9-10H2,1H3/t13-,14-,16+/m0/s1.
What are the key properties of 7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine?
7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine has a molecular weight of 374.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 155222822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).