6-[4-[5-[(2-fluorophenyl)methyl]-2H-triazol-4-yl]imidazol-1-yl]-N-morpholin-4-ylpyridine-3-carboxamide

C22H21FN8O2 — CID 123643993

IUPAC6-[4-[5-[(2-fluorophenyl)methyl]-2H-triazol-4-yl]imidazol-1-yl]-N-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NN1CCOCC1)c1ccc(-n2cnc(-c3n[nH]nc3Cc3ccccc3F)c2)nc1
InChIInChI=1S/C22H21FN8O2/c23-17-4-2-1-3-15(17)11-18-21(27-29-26-18)19-13-30(14-25-19)20-6-5-16(12-24-20)22(32)28-31-7-9-33-10-8-31/h1-6,12-14H,7-11H2,(H,28,32)(H,26,27,29)
InChIKeyDWTHKIPDBHTKOH-UHFFFAOYSA-N
MW448.46 g/mol
LogP1.76
Rot. Bonds6

About 6-[4-[5-[(2-fluorophenyl)methyl]-2H-triazol-4-yl]imidazol-1-yl]-N-morpholin-4-ylpyridine-3-carboxamide

6-[4-[5-[(2-fluorophenyl)methyl]-2H-triazol-4-yl]imidazol-1-yl]-N-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 123643993) has the molecular formula C22H21FN8O2 and a molecular weight of 448.46 g/mol. Its IUPAC name is 6-[4-[5-[(2-fluorophenyl)methyl]-2H-triazol-4-yl]imidazol-1-yl]-N-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[5-[(2-fluorophenyl)methyl]-2H-triazol-4-yl]imidazol-1-yl]-N-morpholin-4-ylpyridine-3-carboxamide
PubChem CID123643993
Molecular FormulaC22H21FN8O2
Molecular Weight448.46 g/mol
Exact Mass448.18
IUPAC Name6-[4-[5-[(2-fluorophenyl)methyl]-2H-triazol-4-yl]imidazol-1-yl]-N-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NN1CCOCC1)c1ccc(-n2cnc(-c3n[nH]nc3Cc3ccccc3F)c2)nc1
InChIInChI=1S/C22H21FN8O2/c23-17-4-2-1-3-15(17)11-18-21(27-29-26-18)19-13-30(14-25-19)20-6-5-16(12-24-20)22(32)28-31-7-9-33-10-8-31/h1-6,12-14H,7-11H2,(H,28,32)(H,26,27,29)
InChIKeyDWTHKIPDBHTKOH-UHFFFAOYSA-N
XLogP1.76
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 57378788
N-[2-(2-fluorophenyl)ethyl]-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253197
2-fluoro-N-morpholin-4-ylpyridine-4-carboxamide
CID 78965765
N'-(4-fluorobenzoyl)-6-morpholin-4-ylpyridine-3-carbohydrazide
CID 46697479
N-[(1,3-diphenylpyrazol-4-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 24606874
N-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343472
2-(2-aminoethyl)-N-morpholin-4-ylbenzamide
CID 83016133
N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 71208807
N-morpholin-4-yl-1H-indazole-6-carboxamide
CID 78974867
N-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 118601546
6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 18142338
N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74245566

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-[(2-fluorophenyl)methyl]-2H-triazol-4-yl]imidazol-1-yl]-N-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[5-[(2-fluorophenyl)methyl]-2H-triazol-4-yl]imidazol-1-yl]-N-morpholin-4-ylpyridine-3-carboxamide (CID 123643993) is 6-[4-[5-[(2-fluorophenyl)methyl]-2H-triazol-4-yl]imidazol-1-yl]-N-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[5-[(2-fluorophenyl)methyl]-2H-triazol-4-yl]imidazol-1-yl]-N-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[5-[(2-fluorophenyl)methyl]-2H-triazol-4-yl]imidazol-1-yl]-N-morpholin-4-ylpyridine-3-carboxamide is O=C(NN1CCOCC1)c1ccc(-n2cnc(-c3n[nH]nc3Cc3ccccc3F)c2)nc1.
What is the InChIKey of 6-[4-[5-[(2-fluorophenyl)methyl]-2H-triazol-4-yl]imidazol-1-yl]-N-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is DWTHKIPDBHTKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN8O2/c23-17-4-2-1-3-15(17)11-18-21(27-29-26-18)19-13-30(14-25-19)20-6-5-16(12-24-20)22(32)28-31-7-9-33-10-8-31/h1-6,12-14H,7-11H2,(H,28,32)(H,26,27,29).
What are the key properties of 6-[4-[5-[(2-fluorophenyl)methyl]-2H-triazol-4-yl]imidazol-1-yl]-N-morpholin-4-ylpyridine-3-carboxamide?
6-[4-[5-[(2-fluorophenyl)methyl]-2H-triazol-4-yl]imidazol-1-yl]-N-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 448.46 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[5-[(2-fluorophenyl)methyl]-2H-triazol-4-yl]imidazol-1-yl]-N-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 123643993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).