4-[[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]methyl]-N-propan-2-ylpyridin-2-amine

C22H21FN6 — CID 76903221

IUPAC4-[[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]methyl]-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1cc(Cn2nnc(-c3ccc(F)cc3)c2-c2ccncc2)ccn1
InChIInChI=1S/C22H21FN6/c1-15(2)26-20-13-16(7-12-25-20)14-29-22(18-8-10-24-11-9-18)21(27-28-29)17-3-5-19(23)6-4-17/h3-13,15H,14H2,1-2H3,(H,25,26)
InChIKeyCUJWPJIVVUNMLV-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.41
Rot. Bonds6

About 4-[[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]methyl]-N-propan-2-ylpyridin-2-amine

4-[[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]methyl]-N-propan-2-ylpyridin-2-amine (PubChem CID 76903221) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]methyl]-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]methyl]-N-propan-2-ylpyridin-2-amine
PubChem CID76903221
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name4-[[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]methyl]-N-propan-2-ylpyridin-2-amine
SMILESCC(C)Nc1cc(Cn2nnc(-c3ccc(F)cc3)c2-c2ccncc2)ccn1
InChIInChI=1S/C22H21FN6/c1-15(2)26-20-13-16(7-12-25-20)14-29-22(18-8-10-24-11-9-18)21(27-28-29)17-3-5-19(23)6-4-17/h3-13,15H,14H2,1-2H3,(H,25,26)
InChIKeyCUJWPJIVVUNMLV-UHFFFAOYSA-N
XLogP4.41
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole
CID 139239898
4-(4-fluorophenyl)-5-pyridin-4-yltriazole-1-carbonyl chloride
CID 22726014
4-[5-(4-fluorophenyl)-2-[(S)-methylsulfinyl]-1H-imidazol-4-yl]-N-propan-2-ylpyridin-2-amine
CID 53238153
4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide
CID 10133916
N-[4-[5-(4-ethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanyl-3-methylimidazol-4-yl]-2-pyridinyl]acetamide;3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylpropane-1,2-diol
CID 142830706
2-[[2-(propan-2-ylamino)-4-pyridinyl]methylsulfanyl]ethanol
CID 115923121
N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-4-ylpropanamide
CID 53380063
4-[1-(diethoxymethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
CID 18367505
N-(4-chlorophenyl)-4-(4-fluorophenyl)-N-methyl-5-pyridin-4-yltriazole-1-carboxamide
CID 10223127
4-[2-(3-chloropropylsulfanyl)-5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyridine
CID 58752317
3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-1H-pyridin-2-one
CID 151343269
5-(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]triazole-4-carbonitrile
CID 82211795

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]methyl]-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 4-[[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]methyl]-N-propan-2-ylpyridin-2-amine (CID 76903221) is 4-[[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]methyl]-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]methyl]-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]methyl]-N-propan-2-ylpyridin-2-amine is CC(C)Nc1cc(Cn2nnc(-c3ccc(F)cc3)c2-c2ccncc2)ccn1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]methyl]-N-propan-2-ylpyridin-2-amine?
The InChIKey is CUJWPJIVVUNMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6/c1-15(2)26-20-13-16(7-12-25-20)14-29-22(18-8-10-24-11-9-18)21(27-28-29)17-3-5-19(23)6-4-17/h3-13,15H,14H2,1-2H3,(H,25,26).
What are the key properties of 4-[[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]methyl]-N-propan-2-ylpyridin-2-amine?
4-[[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]methyl]-N-propan-2-ylpyridin-2-amine has a molecular weight of 388.45 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-1-yl]methyl]-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 76903221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).