2-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]ethanone

C20H24FN7O3 — CID 159826911

IUPAC2-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]ethanone
SMILESCN(CCF)c1nc2cc(CC(=O)c3c(C(=O)N4CCOCC4)cnn3C)ccn2n1
InChIInChI=1S/C20H24FN7O3/c1-25(6-4-21)20-23-17-12-14(3-5-28(17)24-20)11-16(29)18-15(13-22-26(18)2)19(30)27-7-9-31-10-8-27/h3,5,12-13H,4,6-11H2,1-2H3
InChIKeyNMYMXPHWVAQABE-UHFFFAOYSA-N
MW429.46 g/mol
LogP0.77
Rot. Bonds7

About 2-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]ethanone

2-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]ethanone (PubChem CID 159826911) has the molecular formula C20H24FN7O3 and a molecular weight of 429.46 g/mol. Its IUPAC name is 2-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name2-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]ethanone
PubChem CID159826911
Molecular FormulaC20H24FN7O3
Molecular Weight429.46 g/mol
Exact Mass429.19
IUPAC Name2-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]ethanone
SMILESCN(CCF)c1nc2cc(CC(=O)c3c(C(=O)N4CCOCC4)cnn3C)ccn2n1
InChIInChI=1S/C20H24FN7O3/c1-25(6-4-21)20-23-17-12-14(3-5-28(17)24-20)11-16(29)18-15(13-22-26(18)2)19(30)27-7-9-31-10-8-27/h3,5,12-13H,4,6-11H2,1-2H3
InChIKeyNMYMXPHWVAQABE-UHFFFAOYSA-N
XLogP0.77
TPSA97.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]ethanone?
The IUPAC name of 2-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]ethanone (CID 159826911) is 2-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]ethanone.
What is the SMILES notation for 2-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]ethanone?
The canonical SMILES for 2-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]ethanone is CN(CCF)c1nc2cc(CC(=O)c3c(C(=O)N4CCOCC4)cnn3C)ccn2n1.
What is the InChIKey of 2-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]ethanone?
The InChIKey is NMYMXPHWVAQABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O3/c1-25(6-4-21)20-23-17-12-14(3-5-28(17)24-20)11-16(29)18-15(13-22-26(18)2)19(30)27-7-9-31-10-8-27/h3,5,12-13H,4,6-11H2,1-2H3.
What are the key properties of 2-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]ethanone?
2-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]ethanone has a molecular weight of 429.46 g/mol, XLogP of 0.77, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]ethanone is sourced from PubChem (CID 159826911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).