[3-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorocyclopentyl]methanol

C15H16FN5OS — CID 91171082

IUPAC[3-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorocyclopentyl]methanol
SMILESNc1ncnn2c(C3CC(CO)CC3F)cc(-c3nccs3)c12
InChIInChI=1S/C15H16FN5OS/c16-11-4-8(6-22)3-9(11)12-5-10(15-18-1-2-23-15)13-14(17)19-7-20-21(12)13/h1-2,5,7-9,11,22H,3-4,6H2,(H2,17,19,20)
InChIKeyDOATYLMVSQEAQR-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.26
Rot. Bonds3

About [3-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorocyclopentyl]methanol

[3-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorocyclopentyl]methanol (PubChem CID 91171082) has the molecular formula C15H16FN5OS and a molecular weight of 333.39 g/mol. Its IUPAC name is [3-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorocyclopentyl]methanol.

Molecular Properties

Compound Name[3-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorocyclopentyl]methanol
PubChem CID91171082
Molecular FormulaC15H16FN5OS
Molecular Weight333.39 g/mol
Exact Mass333.11
IUPAC Name[3-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorocyclopentyl]methanol
SMILESNc1ncnn2c(C3CC(CO)CC3F)cc(-c3nccs3)c12
InChIInChI=1S/C15H16FN5OS/c16-11-4-8(6-22)3-9(11)12-5-10(15-18-1-2-23-15)13-14(17)19-7-20-21(12)13/h1-2,5,7-9,11,22H,3-4,6H2,(H2,17,19,20)
InChIKeyDOATYLMVSQEAQR-UHFFFAOYSA-N
XLogP2.26
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[4-Amino-7-[2-(aminomethyl)-1,3-thiazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol
CID 71187087
[4-[4-Amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
CID 71187309
[4-[4-Amino-7-(2-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
CID 90389184
(S)-(1-(4-(thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidin-2-yl)methanol
CID 142498067
[(2R,3S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-fluoro-4,4-dimethyloxolan-2-yl]methanol
CID 59185446
[(2S,3R,4R,5S)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3-methyloxolan-2-yl]methanol
CID 59185453
[(2S,3R,4R,5S)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3,4-dimethyloxolan-2-yl]methanol
CID 59185468
[(2S,3R,4S,5S)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3-methyloxolan-2-yl]methanol
CID 59185472
(2S,3S,4R,5R)-2-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol
CID 70927180
[(2S,4R,5S)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-4-methyloxolan-2-yl]methanol
CID 70927183
[(2S,4S,5S)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorooxolan-2-yl]methanol
CID 71229172
[3-[[6-Methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[2,2,2-trifluoro-1-(4-pyrazol-1-ylphenyl)ethyl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 90854407

Frequently Asked Questions

What is the IUPAC name of [3-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorocyclopentyl]methanol?
The IUPAC name of [3-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorocyclopentyl]methanol (CID 91171082) is [3-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorocyclopentyl]methanol.
What is the SMILES notation for [3-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorocyclopentyl]methanol?
The canonical SMILES for [3-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorocyclopentyl]methanol is Nc1ncnn2c(C3CC(CO)CC3F)cc(-c3nccs3)c12.
What is the InChIKey of [3-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorocyclopentyl]methanol?
The InChIKey is DOATYLMVSQEAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5OS/c16-11-4-8(6-22)3-9(11)12-5-10(15-18-1-2-23-15)13-14(17)19-7-20-21(12)13/h1-2,5,7-9,11,22H,3-4,6H2,(H2,17,19,20).
What are the key properties of [3-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorocyclopentyl]methanol?
[3-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorocyclopentyl]methanol has a molecular weight of 333.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorocyclopentyl]methanol is sourced from PubChem (CID 91171082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).