5-[4-(2-morpholin-4-ylethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine

C22H28N6O — CID 77106162

IUPAC5-[4-(2-morpholin-4-ylethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
SMILESCC(C)n1cc(-c2cc(-c3ccc(CCN4CCOCC4)cc3)cnc2N)nn1
InChIInChI=1S/C22H28N6O/c1-16(2)28-15-21(25-26-28)20-13-19(14-24-22(20)23)18-5-3-17(4-6-18)7-8-27-9-11-29-12-10-27/h3-6,13-16H,7-12H2,1-2H3,(H2,23,24)
InChIKeyFTFHXZBJQVVCKS-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.04
Rot. Bonds6

About 5-[4-(2-morpholin-4-ylethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine

5-[4-(2-morpholin-4-ylethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine (PubChem CID 77106162) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 5-[4-(2-morpholin-4-ylethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(2-morpholin-4-ylethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
PubChem CID77106162
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name5-[4-(2-morpholin-4-ylethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine
SMILESCC(C)n1cc(-c2cc(-c3ccc(CCN4CCOCC4)cc3)cnc2N)nn1
InChIInChI=1S/C22H28N6O/c1-16(2)28-15-21(25-26-28)20-13-19(14-24-22(20)23)18-5-3-17(4-6-18)7-8-27-9-11-29-12-10-27/h3-6,13-16H,7-12H2,1-2H3,(H2,23,24)
InChIKeyFTFHXZBJQVVCKS-UHFFFAOYSA-N
XLogP3.04
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-(2-morpholin-4-ylethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine with MolForge

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Related Compounds

4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
SB-210313
CID 9885504
5-[4-(Morpholin-4-Ylmethyl)phenyl]-3-(1-Propan-2-Yl-1,2,3-Triazol-4-Yl)pyridin-2-Amine
CID 77106759
5-{5-[1-(Oxetan-3-Yl)piperidin-4-Yl]-1-(Propan-2-Yl)-1h-Pyrazol-3-Yl}-3-(Trifluoromethyl)pyridin-2-Amine
CID 78318990
4-Methyl-6-[2-(5-Morpholin-4-Ylpyridin-3-Yl)ethyl]pyridin-2-Amine
CID 119081686
6-(2-(5-((2-Methoxyethyl)(Methyl)amino)pyridin-3-Yl)ethyl)-4-Methylpyridin-2-Amine
CID 119057275
(S)-3-(2-(1-methoxypropan-2-ylamino)pyridin-4-yl)-2-phenylimidazo[1,2-a]pyrimidin-7-amine
CID 44344609
7-Methyl-5-morpholino-2-phenylimidazo[1,2-a]pyrimidine
CID 1472740
4-[[1-(2-Phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
CID 3229139
6-Methyl-3-(morpholinomethyl)-2-phenylimidazo[1,2-a]pyridine
CID 3594650
4-[2-[4-(4-Fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]ethyl]morpholine
CID 9819884
4-[4-[4-(4-Fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine
CID 10619769

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-morpholin-4-ylethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The IUPAC name of 5-[4-(2-morpholin-4-ylethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine (CID 77106162) is 5-[4-(2-morpholin-4-ylethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-[4-(2-morpholin-4-ylethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The canonical SMILES for 5-[4-(2-morpholin-4-ylethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine is CC(C)n1cc(-c2cc(-c3ccc(CCN4CCOCC4)cc3)cnc2N)nn1.
What is the InChIKey of 5-[4-(2-morpholin-4-ylethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
The InChIKey is FTFHXZBJQVVCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-16(2)28-15-21(25-26-28)20-13-19(14-24-22(20)23)18-5-3-17(4-6-18)7-8-27-9-11-29-12-10-27/h3-6,13-16H,7-12H2,1-2H3,(H2,23,24).
What are the key properties of 5-[4-(2-morpholin-4-ylethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine?
5-[4-(2-morpholin-4-ylethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine has a molecular weight of 392.51 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-morpholin-4-ylethyl)phenyl]-3-(1-propan-2-yltriazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 77106162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).