7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol

C16H26FN5O3S — CID 169117679

IUPAC7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol
SMILESCCC(C)c1cc(F)c2cnc(N)nn12.CS(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C10H13FN4.C6H13NO3S/c1-3-6(2)8-4-7(11)9-5-13-10(12)14-15(8)9;1-11(9,10)7-4-2-3-6(8)5-7/h4-6H,3H2,1-2H3,(H2,12,14);6,8H,2-5H2,1H3
InChIKeyWDMDCPYQPZXHTG-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.37
Rot. Bonds3

About 7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol

7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol (PubChem CID 169117679) has the molecular formula C16H26FN5O3S and a molecular weight of 387.48 g/mol. Its IUPAC name is 7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol.

Molecular Properties

Compound Name7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol
PubChem CID169117679
Molecular FormulaC16H26FN5O3S
Molecular Weight387.48 g/mol
Exact Mass387.17
IUPAC Name7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol
SMILESCCC(C)c1cc(F)c2cnc(N)nn12.CS(=O)(=O)N1CCCC(O)C1
InChIInChI=1S/C10H13FN4.C6H13NO3S/c1-3-6(2)8-4-7(11)9-5-13-10(12)14-15(8)9;1-11(9,10)7-4-2-3-6(8)5-7/h4-6H,3H2,1-2H3,(H2,12,14);6,8H,2-5H2,1H3
InChIKeyWDMDCPYQPZXHTG-UHFFFAOYSA-N
XLogP1.37
TPSA113.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2,6-difluoro-3-methylphenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol
CID 169117720
1-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 169117453
7-(2,2-difluorocyclopentyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;3-fluoro-1-methylsulfonylpiperidine
CID 169117517
6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;3-fluoro-1-methylsulfonylpiperidine
CID 169117899
(3R,4R)-1-ethylsulfonyl-4-[(5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]piperidin-3-ol
CID 170061736
7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one
CID 169116976
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
(3R,4R)-4-[[5-fluoro-7-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 169116972
(3R,4R)-4-[[5-fluoro-7-(2,3,4,5,6-pentafluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 170062961
(3R,4R)-4-[[5-fluoro-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 170060832
1-(2-methylbutylsulfonyl)piperidin-3-ol
CID 111439844
(3S)-1-(2-phenylpropylsulfonyl)piperidin-3-ol
CID 107225038

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol?
The IUPAC name of 7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol (CID 169117679) is 7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol.
What is the SMILES notation for 7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol?
The canonical SMILES for 7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol is CCC(C)c1cc(F)c2cnc(N)nn12.CS(=O)(=O)N1CCCC(O)C1.
What is the InChIKey of 7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol?
The InChIKey is WDMDCPYQPZXHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4.C6H13NO3S/c1-3-6(2)8-4-7(11)9-5-13-10(12)14-15(8)9;1-11(9,10)7-4-2-3-6(8)5-7/h4-6H,3H2,1-2H3,(H2,12,14);6,8H,2-5H2,1H3.
What are the key properties of 7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol?
7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol has a molecular weight of 387.48 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol is sourced from PubChem (CID 169117679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).