7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one

C17H24FN5O3S — CID 169116976

IUPAC7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one
SMILESCS(=O)(=O)N1CCCC(=O)C1.Nc1ncc2c(F)cc(C3CCCC3)n2n1
InChIInChI=1S/C11H13FN4.C6H11NO3S/c12-8-5-9(7-3-1-2-4-7)16-10(8)6-14-11(13)15-16;1-11(9,10)7-4-2-3-6(8)5-7/h5-7H,1-4H2,(H2,13,15);2-5H2,1H3
InChIKeyHGWRMRSVCCWOIQ-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.72
Rot. Bonds2

About 7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one

7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one (PubChem CID 169116976) has the molecular formula C17H24FN5O3S and a molecular weight of 397.48 g/mol. Its IUPAC name is 7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one.

Molecular Properties

Compound Name7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one
PubChem CID169116976
Molecular FormulaC17H24FN5O3S
Molecular Weight397.48 g/mol
Exact Mass397.16
IUPAC Name7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one
SMILESCS(=O)(=O)N1CCCC(=O)C1.Nc1ncc2c(F)cc(C3CCCC3)n2n1
InChIInChI=1S/C11H13FN4.C6H11NO3S/c12-8-5-9(7-3-1-2-4-7)16-10(8)6-14-11(13)15-16;1-11(9,10)7-4-2-3-6(8)5-7/h5-7H,1-4H2,(H2,13,15);2-5H2,1H3
InChIKeyHGWRMRSVCCWOIQ-UHFFFAOYSA-N
XLogP1.72
TPSA110.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2,2-difluorocyclopentyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;3-fluoro-1-methylsulfonylpiperidine
CID 169117517
7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol
CID 169117679
7-(2,6-difluoro-3-methylphenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol
CID 169117720
7-cyclopentyl-5-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 169117200
(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-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 169117453
5-fluoro-7-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117104
7-cyclopentyl-5-fluoro-N-(thian-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 169118087
6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;3-fluoro-1-methylsulfonylpiperidine
CID 169117899
5-fluoro-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 169117038
5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 156533351
(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

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one?
The IUPAC name of 7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one (CID 169116976) is 7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one.
What is the SMILES notation for 7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one?
The canonical SMILES for 7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one is CS(=O)(=O)N1CCCC(=O)C1.Nc1ncc2c(F)cc(C3CCCC3)n2n1.
What is the InChIKey of 7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one?
The InChIKey is HGWRMRSVCCWOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4.C6H11NO3S/c12-8-5-9(7-3-1-2-4-7)16-10(8)6-14-11(13)15-16;1-11(9,10)7-4-2-3-6(8)5-7/h5-7H,1-4H2,(H2,13,15);2-5H2,1H3.
What are the key properties of 7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one?
7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one has a molecular weight of 397.48 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one is sourced from PubChem (CID 169116976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).