1-[4-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanol

C25H27N5O2 — CID 70929382

IUPAC1-[4-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanol
SMILESCC(O)c1ccc(Nc2nc3c(-c4ccc(CN5CCOCC5)cc4)cccn3n2)cc1
InChIInChI=1S/C25H27N5O2/c1-18(31)20-8-10-22(11-9-20)26-25-27-24-23(3-2-12-30(24)28-25)21-6-4-19(5-7-21)17-29-13-15-32-16-14-29/h2-12,18,31H,13-17H2,1H3,(H,26,28)
InChIKeyORNLSWFFFJQWSB-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.03
Rot. Bonds6

About 1-[4-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanol

1-[4-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanol (PubChem CID 70929382) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-[4-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanol
PubChem CID70929382
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name1-[4-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanol
SMILESCC(O)c1ccc(Nc2nc3c(-c4ccc(CN5CCOCC5)cc4)cccn3n2)cc1
InChIInChI=1S/C25H27N5O2/c1-18(31)20-8-10-22(11-9-20)26-25-27-24-23(3-2-12-30(24)28-25)21-6-4-19(5-7-21)17-29-13-15-32-16-14-29/h2-12,18,31H,13-17H2,1H3,(H,26,28)
InChIKeyORNLSWFFFJQWSB-UHFFFAOYSA-N
XLogP4.03
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanol with MolForge

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Related Compounds

8-(4-methylsulfonylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67481528
2-cyclopropyl-5-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3H-isoindol-1-one
CID 70929521
8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70929395
N-cyclopropyl-4-[[8-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929692
N-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929524
N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929450
N-(4-methylsulfonylphenyl)-8-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70929580
N-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929460
8-(4-methoxyphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70929679
4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 59199086
N-cyclopropyl-4-[[8-[4-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929446
N-(4-morpholin-4-ylphenyl)-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 158996401

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanol?
The IUPAC name of 1-[4-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanol (CID 70929382) is 1-[4-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanol.
What is the SMILES notation for 1-[4-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanol?
The canonical SMILES for 1-[4-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanol is CC(O)c1ccc(Nc2nc3c(-c4ccc(CN5CCOCC5)cc4)cccn3n2)cc1.
What is the InChIKey of 1-[4-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanol?
The InChIKey is ORNLSWFFFJQWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-18(31)20-8-10-22(11-9-20)26-25-27-24-23(3-2-12-30(24)28-25)21-6-4-19(5-7-21)17-29-13-15-32-16-14-29/h2-12,18,31H,13-17H2,1H3,(H,26,28).
What are the key properties of 1-[4-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanol?
1-[4-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanol has a molecular weight of 429.52 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanol is sourced from PubChem (CID 70929382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).