5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H22N6O2 — CID 70240412

IUPAC5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)nc4)nn23)cc1
InChIInChI=1S/C22H22N6O2/c1-29-18-8-5-16(6-9-18)19-3-2-4-21-25-22(26-28(19)21)24-17-7-10-20(23-15-17)27-11-13-30-14-12-27/h2-10,15H,11-14H2,1H3,(H,24,26)
InChIKeyRNASNPGEDAANBG-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.38
Rot. Bonds5

About 5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 70240412) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID70240412
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)nc4)nn23)cc1
InChIInChI=1S/C22H22N6O2/c1-29-18-8-5-16(6-9-18)19-3-2-4-21-25-22(26-28(19)21)24-17-7-10-20(23-15-17)27-11-13-30-14-12-27/h2-10,15H,11-14H2,1H3,(H,24,26)
InChIKeyRNASNPGEDAANBG-UHFFFAOYSA-N
XLogP3.38
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 70240412) is 5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)nc4)nn23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is RNASNPGEDAANBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-29-18-8-5-16(6-9-18)19-3-2-4-21-25-22(26-28(19)21)24-17-7-10-20(23-15-17)27-11-13-30-14-12-27/h2-10,15H,11-14H2,1H3,(H,24,26).
What are the key properties of 5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 402.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 70240412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).