4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid

C22H24F3N5O3 — CID 129315872

IUPAC4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid
SMILESCC(C)c1cnc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H23N5O.C2HF3O2/c1-14(2)19-13-23-20(24-19)18-10-15(3-4-22-18)16-9-17(12-21-11-16)25-5-7-26-8-6-25;3-2(4,5)1(6)7/h3-4,9-14H,5-8H2,1-2H3,(H,23,24);(H,6,7)
InChIKeyRIOFKZSEFBLMLT-UHFFFAOYSA-N
MW463.46 g/mol
LogP4.13
Rot. Bonds4

About 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid

4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid (PubChem CID 129315872) has the molecular formula C22H24F3N5O3 and a molecular weight of 463.46 g/mol. Its IUPAC name is 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid
PubChem CID129315872
Molecular FormulaC22H24F3N5O3
Molecular Weight463.46 g/mol
Exact Mass463.18
IUPAC Name4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid
SMILESCC(C)c1cnc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H23N5O.C2HF3O2/c1-14(2)19-13-23-20(24-19)18-10-15(3-4-22-18)16-9-17(12-21-11-16)25-5-7-26-8-6-25;3-2(4,5)1(6)7/h3-4,9-14H,5-8H2,1-2H3,(H,23,24);(H,6,7)
InChIKeyRIOFKZSEFBLMLT-UHFFFAOYSA-N
XLogP4.13
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-methylsulfonyl-3-pyridinyl)-2-(5-propan-2-yl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid
CID 129315855
4-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
CID 129315533
N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide
CID 129315839
(3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone
CID 129315394
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide
CID 129315581
5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155068439
4-[2-[4-(5-methoxy-3-pyridinyl)-2-pyridinyl]-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 129315696
4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine
CID 91510472
5-[2-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 24957501
N-(5-hydroxy-4-methylcyclohepta-1,4,6-trien-1-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 142333750
morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 117078709
N-[6-methyl-5-[4-[5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 70902972

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid (CID 129315872) is 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid is CC(C)c1cnc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid?
The InChIKey is RIOFKZSEFBLMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.C2HF3O2/c1-14(2)19-13-23-20(24-19)18-10-15(3-4-22-18)16-9-17(12-21-11-16)25-5-7-26-8-6-25;3-2(4,5)1(6)7/h3-4,9-14H,5-8H2,1-2H3,(H,23,24);(H,6,7).
What are the key properties of 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid?
4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 463.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 129315872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).