1-[[2-[3-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]prop-1-en-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxy]-2-methylpropan-2-ol

C25H26FN5O3 — CID 137419302

IUPAC1-[[2-[3-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]prop-1-en-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxy]-2-methylpropan-2-ol
SMILESC=C(Cc1ccc(Oc2ncccc2C)c(F)c1)Nc1nc2cc(OCC(C)(C)O)ccn2n1
InChIInChI=1S/C25H26FN5O3/c1-16-6-5-10-27-23(16)34-21-8-7-18(13-20(21)26)12-17(2)28-24-29-22-14-19(9-11-31(22)30-24)33-15-25(3,4)32/h5-11,13-14,32H,2,12,15H2,1,3-4H3,(H,28,30)
InChIKeyYPCXTYBQVINSDD-UHFFFAOYSA-N
MW463.51 g/mol
LogP4.68
Rot. Bonds9

About 1-[[2-[3-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]prop-1-en-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxy]-2-methylpropan-2-ol

1-[[2-[3-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]prop-1-en-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxy]-2-methylpropan-2-ol (PubChem CID 137419302) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is 1-[[2-[3-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]prop-1-en-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-[3-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]prop-1-en-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxy]-2-methylpropan-2-ol
PubChem CID137419302
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC Name1-[[2-[3-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]prop-1-en-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxy]-2-methylpropan-2-ol
SMILESC=C(Cc1ccc(Oc2ncccc2C)c(F)c1)Nc1nc2cc(OCC(C)(C)O)ccn2n1
InChIInChI=1S/C25H26FN5O3/c1-16-6-5-10-27-23(16)34-21-8-7-18(13-20(21)26)12-17(2)28-24-29-22-14-19(9-11-31(22)30-24)33-15-25(3,4)32/h5-11,13-14,32H,2,12,15H2,1,3-4H3,(H,28,30)
InChIKeyYPCXTYBQVINSDD-UHFFFAOYSA-N
XLogP4.68
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[2-[3-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]prop-1-en-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxy]-2-methylpropan-2-ol with MolForge

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Related Compounds

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CID 156012832
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CID 59199121
N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[3-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]prop-1-en-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-[3-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]prop-1-en-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxy]-2-methylpropan-2-ol (CID 137419302) is 1-[[2-[3-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]prop-1-en-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-[3-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]prop-1-en-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-[3-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]prop-1-en-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxy]-2-methylpropan-2-ol is C=C(Cc1ccc(Oc2ncccc2C)c(F)c1)Nc1nc2cc(OCC(C)(C)O)ccn2n1.
What is the InChIKey of 1-[[2-[3-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]prop-1-en-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxy]-2-methylpropan-2-ol?
The InChIKey is YPCXTYBQVINSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c1-16-6-5-10-27-23(16)34-21-8-7-18(13-20(21)26)12-17(2)28-24-29-22-14-19(9-11-31(22)30-24)33-15-25(3,4)32/h5-11,13-14,32H,2,12,15H2,1,3-4H3,(H,28,30).
What are the key properties of 1-[[2-[3-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]prop-1-en-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxy]-2-methylpropan-2-ol?
1-[[2-[3-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]prop-1-en-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxy]-2-methylpropan-2-ol has a molecular weight of 463.51 g/mol, XLogP of 4.68, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[3-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]prop-1-en-2-ylamino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxy]-2-methylpropan-2-ol is sourced from PubChem (CID 137419302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).