2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide

C24H25FN6O5 — CID 170186887

IUPAC2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide
SMILESCC(C)(O)COC1=CC2=NC(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)NN2C=C1
InChIInChI=1S/C24H25FN6O5/c1-24(2,34)13-35-15-7-9-31-19(12-15)28-23(30-31)29-20(32)11-14-5-6-18(17(25)10-14)36-22-16(21(26)33)4-3-8-27-22/h3-10,12,23,30,34H,11,13H2,1-2H3,(H2,26,33)(H,29,32)
InChIKeyNOIXHHUVFNIXCB-UHFFFAOYSA-N
MW496.50 g/mol
LogP1.47
Rot. Bonds9

About 2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide

2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 170186887) has the molecular formula C24H25FN6O5 and a molecular weight of 496.50 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide
PubChem CID170186887
Molecular FormulaC24H25FN6O5
Molecular Weight496.50 g/mol
Exact Mass496.19
IUPAC Name2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide
SMILESCC(C)(O)COC1=CC2=NC(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)NN2C=C1
InChIInChI=1S/C24H25FN6O5/c1-24(2,34)13-35-15-7-9-31-19(12-15)28-23(30-31)29-20(32)11-14-5-6-18(17(25)10-14)36-22-16(21(26)33)4-3-8-27-22/h3-10,12,23,30,34H,11,13H2,1-2H3,(H2,26,33)(H,29,32)
InChIKeyNOIXHHUVFNIXCB-UHFFFAOYSA-N
XLogP1.47
TPSA151.40 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.50
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide (CID 170186887) is 2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide is CC(C)(O)COC1=CC2=NC(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)NN2C=C1.
What is the InChIKey of 2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is NOIXHHUVFNIXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O5/c1-24(2,34)13-35-15-7-9-31-19(12-15)28-23(30-31)29-20(32)11-14-5-6-18(17(25)10-14)36-22-16(21(26)33)4-3-8-27-22/h3-10,12,23,30,34H,11,13H2,1-2H3,(H2,26,33)(H,29,32).
What are the key properties of 2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 496.50 g/mol, XLogP of 1.47, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[2-[[7-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 170186887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).