8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[4-(1-methoxyethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C26H28FN5O2 — CID 70929641

IUPAC8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[4-(1-methoxyethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOC(C)c1ccc(Nc2nc3c(-c4ccc(CN5CCOCC5)c(F)c4)cccn3n2)cc1
InChIInChI=1S/C26H28FN5O2/c1-18(33-2)19-7-9-22(10-8-19)28-26-29-25-23(4-3-11-32(25)30-26)20-5-6-21(24(27)16-20)17-31-12-14-34-15-13-31/h3-11,16,18H,12-15,17H2,1-2H3,(H,28,30)
InChIKeyMTEZKIJLLJFDKC-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.82
Rot. Bonds7

About 8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[4-(1-methoxyethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[4-(1-methoxyethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 70929641) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[4-(1-methoxyethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[4-(1-methoxyethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID70929641
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[4-(1-methoxyethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOC(C)c1ccc(Nc2nc3c(-c4ccc(CN5CCOCC5)c(F)c4)cccn3n2)cc1
InChIInChI=1S/C26H28FN5O2/c1-18(33-2)19-7-9-22(10-8-19)28-26-29-25-23(4-3-11-32(25)30-26)20-5-6-21(24(27)16-20)17-31-12-14-34-15-13-31/h3-11,16,18H,12-15,17H2,1-2H3,(H,28,30)
InChIKeyMTEZKIJLLJFDKC-UHFFFAOYSA-N
XLogP4.82
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[4-(1-methoxyethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[4-(1-methoxyethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 70929641) is 8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[4-(1-methoxyethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[4-(1-methoxyethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[4-(1-methoxyethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COC(C)c1ccc(Nc2nc3c(-c4ccc(CN5CCOCC5)c(F)c4)cccn3n2)cc1.
What is the InChIKey of 8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[4-(1-methoxyethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is MTEZKIJLLJFDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-18(33-2)19-7-9-22(10-8-19)28-26-29-25-23(4-3-11-32(25)30-26)20-5-6-21(24(27)16-20)17-31-12-14-34-15-13-31/h3-11,16,18H,12-15,17H2,1-2H3,(H,28,30).
What are the key properties of 8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[4-(1-methoxyethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[4-(1-methoxyethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 461.54 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[4-(1-methoxyethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 70929641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).