1-[2-methyl-4-[[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]methoxy]phenyl]-4-(triazol-1-yl)butan-1-one

C26H24F3N5O2 — CID 25057989

IUPAC1-[2-methyl-4-[[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]methoxy]phenyl]-4-(triazol-1-yl)butan-1-one
SMILESCc1cc(OCc2ccc(-c3ccc(C(F)(F)F)nc3)nc2C)ccc1C(=O)CCCn1ccnn1
InChIInChI=1S/C26H24F3N5O2/c1-17-14-21(7-8-22(17)24(35)4-3-12-34-13-11-31-33-34)36-16-20-5-9-23(32-18(20)2)19-6-10-25(30-15-19)26(27,28)29/h5-11,13-15H,3-4,12,16H2,1-2H3
InChIKeySPJNFUBIRCDLPH-UHFFFAOYSA-N
MW495.51 g/mol
LogP5.61
Rot. Bonds9

About 1-[2-methyl-4-[[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]methoxy]phenyl]-4-(triazol-1-yl)butan-1-one

1-[2-methyl-4-[[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]methoxy]phenyl]-4-(triazol-1-yl)butan-1-one (PubChem CID 25057989) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is 1-[2-methyl-4-[[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]methoxy]phenyl]-4-(triazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-[2-methyl-4-[[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]methoxy]phenyl]-4-(triazol-1-yl)butan-1-one
PubChem CID25057989
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC Name1-[2-methyl-4-[[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]methoxy]phenyl]-4-(triazol-1-yl)butan-1-one
SMILESCc1cc(OCc2ccc(-c3ccc(C(F)(F)F)nc3)nc2C)ccc1C(=O)CCCn1ccnn1
InChIInChI=1S/C26H24F3N5O2/c1-17-14-21(7-8-22(17)24(35)4-3-12-34-13-11-31-33-34)36-16-20-5-9-23(32-18(20)2)19-6-10-25(30-15-19)26(27,28)29/h5-11,13-15H,3-4,12,16H2,1-2H3
InChIKeySPJNFUBIRCDLPH-UHFFFAOYSA-N
XLogP5.61
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.51
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-methyl-4-[[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]methoxy]phenyl]-4-(triazol-1-yl)butan-1-one 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-[[4-(2,2,2-Trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]-3-pyridinyl]methanone
CID 168291273
N-[(1,3-dimethyl-4-pyrazolyl)methyl]-N-methyl-4-[[1-(2-pyridinylmethyl)-4-piperidinyl]oxy]benzamide
CID 24794269
[4-(4-Fluorophenyl)-5-pyridin-4-yltriazol-2-yl]-(4-methoxyphenyl)methanone
CID 44290355
(3-Methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]methanone
CID 72548222
(E)-1-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-3-pyridin-4-ylprop-2-en-1-one
CID 155512880
(E)-1-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-3-pyridin-3-ylprop-2-en-1-one
CID 155549828
2-(1-{4-[2-(2-furyl)phenyl]-1H-1,2,3-triazol-1-yl}ethyl)-3-methylpyridine
CID 72920462
4-[1-[6-(6-Methoxy-3-pyridinyl)-4-methyl-3-pyridinyl]triazol-4-yl]benzoic acid
CID 172463677
[5-Methoxy-2-[1-(4-methylphenyl)triazol-4-yl]phenyl]-phenylmethanone
CID 132537693
4-isopropoxy-N-((1-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl)methyl)benzamide
CID 121022949
[(2S)-11,20-dioxa-3,14,15,16-tetrazapentacyclo[19.3.1.16,10.113,16.02,7]heptacosa-1(25),6,8,10(27),13(26),14,21,23-octaen-3-yl]-pyridin-3-ylmethanone
CID 164629308
9-[(1R)-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethoxy]-2,4-dihydro-1H-[1,4]oxazino[4,3-a]quinolin-6-one
CID 178323205

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]methoxy]phenyl]-4-(triazol-1-yl)butan-1-one?
The IUPAC name of 1-[2-methyl-4-[[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]methoxy]phenyl]-4-(triazol-1-yl)butan-1-one (CID 25057989) is 1-[2-methyl-4-[[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]methoxy]phenyl]-4-(triazol-1-yl)butan-1-one.
What is the SMILES notation for 1-[2-methyl-4-[[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]methoxy]phenyl]-4-(triazol-1-yl)butan-1-one?
The canonical SMILES for 1-[2-methyl-4-[[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]methoxy]phenyl]-4-(triazol-1-yl)butan-1-one is Cc1cc(OCc2ccc(-c3ccc(C(F)(F)F)nc3)nc2C)ccc1C(=O)CCCn1ccnn1.
What is the InChIKey of 1-[2-methyl-4-[[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]methoxy]phenyl]-4-(triazol-1-yl)butan-1-one?
The InChIKey is SPJNFUBIRCDLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c1-17-14-21(7-8-22(17)24(35)4-3-12-34-13-11-31-33-34)36-16-20-5-9-23(32-18(20)2)19-6-10-25(30-15-19)26(27,28)29/h5-11,13-15H,3-4,12,16H2,1-2H3.
What are the key properties of 1-[2-methyl-4-[[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]methoxy]phenyl]-4-(triazol-1-yl)butan-1-one?
1-[2-methyl-4-[[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]methoxy]phenyl]-4-(triazol-1-yl)butan-1-one has a molecular weight of 495.51 g/mol, XLogP of 5.61, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]methoxy]phenyl]-4-(triazol-1-yl)butan-1-one is sourced from PubChem (CID 25057989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).