1-[4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-3-fluoropiperidin-1-yl]propan-1-one

C19H26ClFN6O — CID 176688736

IUPAC1-[4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-3-fluoropiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2ncc3c(Cl)nc(C4(CC)CCC4)n3n2)C(F)C1
InChIInChI=1S/C19H26ClFN6O/c1-3-15(28)26-9-6-13(12(21)11-26)23-18-22-10-14-16(20)24-17(27(14)25-18)19(4-2)7-5-8-19/h10,12-13H,3-9,11H2,1-2H3,(H,23,25)
InChIKeyFYQHNXMPQRITMP-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.37
Rot. Bonds5

About 1-[4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-3-fluoropiperidin-1-yl]propan-1-one

1-[4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-3-fluoropiperidin-1-yl]propan-1-one (PubChem CID 176688736) has the molecular formula C19H26ClFN6O and a molecular weight of 408.91 g/mol. Its IUPAC name is 1-[4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-3-fluoropiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-3-fluoropiperidin-1-yl]propan-1-one
PubChem CID176688736
Molecular FormulaC19H26ClFN6O
Molecular Weight408.91 g/mol
Exact Mass408.18
IUPAC Name1-[4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-3-fluoropiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2ncc3c(Cl)nc(C4(CC)CCC4)n3n2)C(F)C1
InChIInChI=1S/C19H26ClFN6O/c1-3-15(28)26-9-6-13(12(21)11-26)23-18-22-10-14-16(20)24-17(27(14)25-18)19(4-2)7-5-8-19/h10,12-13H,3-9,11H2,1-2H3,(H,23,25)
InChIKeyFYQHNXMPQRITMP-UHFFFAOYSA-N
XLogP3.37
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-3-fluoropiperidin-1-yl]propan-1-one with MolForge

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Related Compounds

(3S,4R)-4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 176688704
[(3S,4R)-4-[[7-(1-ethylcyclobutyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-yl] acetate
CID 169117969
1-[4-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 118411017
(3R,4S)-4-[[5-chloro-7-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 176688696
7-(1-bicyclo[2.2.2]octanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 176688864
tert-butyl (3R,4S)-3-fluoro-4-[[5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 171468905
7-cyclopentyl-5-fluoro-2-[[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile
CID 170064781
N,N-dimethyl-6-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-3-carboxamide
CID 133366737
1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one
CID 172590781
1-[(3R)-3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 58896960
7-(1-ethylcyclobutyl)-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile
CID 169117625
(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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-3-fluoropiperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-3-fluoropiperidin-1-yl]propan-1-one (CID 176688736) is 1-[4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-3-fluoropiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-3-fluoropiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-3-fluoropiperidin-1-yl]propan-1-one is CCC(=O)N1CCC(Nc2ncc3c(Cl)nc(C4(CC)CCC4)n3n2)C(F)C1.
What is the InChIKey of 1-[4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-3-fluoropiperidin-1-yl]propan-1-one?
The InChIKey is FYQHNXMPQRITMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN6O/c1-3-15(28)26-9-6-13(12(21)11-26)23-18-22-10-14-16(20)24-17(27(14)25-18)19(4-2)7-5-8-19/h10,12-13H,3-9,11H2,1-2H3,(H,23,25).
What are the key properties of 1-[4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-3-fluoropiperidin-1-yl]propan-1-one?
1-[4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-3-fluoropiperidin-1-yl]propan-1-one has a molecular weight of 408.91 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-3-fluoropiperidin-1-yl]propan-1-one is sourced from PubChem (CID 176688736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).