2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine

C22H21FN6 — CID 121288329

IUPAC2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
SMILESCc1n[nH]nc1-c1ccnc(-c2cn(C[C@H]3CCCc4cccc(F)c43)cn2)c1
InChIInChI=1S/C22H21FN6/c1-14-22(27-28-26-14)16-8-9-24-19(10-16)20-12-29(13-25-20)11-17-6-2-4-15-5-3-7-18(23)21(15)17/h3,5,7-10,12-13,17H,2,4,6,11H2,1H3,(H,26,27,28)/t17-/m1/s1
InChIKeyIJLAWTISBMMBQM-QGZVFWFLSA-N
MW388.45 g/mol
LogP4.30
Rot. Bonds4

About 2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine

2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine (PubChem CID 121288329) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
PubChem CID121288329
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
SMILESCc1n[nH]nc1-c1ccnc(-c2cn(C[C@H]3CCCc4cccc(F)c43)cn2)c1
InChIInChI=1S/C22H21FN6/c1-14-22(27-28-26-14)16-8-9-24-19(10-16)20-12-29(13-25-20)11-17-6-2-4-15-5-3-7-18(23)21(15)17/h3,5,7-10,12-13,17H,2,4,6,11H2,1H3,(H,26,27,28)/t17-/m1/s1
InChIKeyIJLAWTISBMMBQM-QGZVFWFLSA-N
XLogP4.30
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine 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

2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288343
2-[1-[(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460642
2-[1-[[(1S)-5-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288341
2-[1-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288400
2-[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460613
2-[1-[[(3S)-6-fluoro-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288427
4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3S)-4-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine
CID 121288456
2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 118971648
4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3S)-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine
CID 121288452
4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine
CID 121288455
4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3S)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine
CID 121288454
2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460612

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The IUPAC name of 2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine (CID 121288329) is 2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine.
What is the SMILES notation for 2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The canonical SMILES for 2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine is Cc1n[nH]nc1-c1ccnc(-c2cn(C[C@H]3CCCc4cccc(F)c43)cn2)c1.
What is the InChIKey of 2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The InChIKey is IJLAWTISBMMBQM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21FN6/c1-14-22(27-28-26-14)16-8-9-24-19(10-16)20-12-29(13-25-20)11-17-6-2-4-15-5-3-7-18(23)21(15)17/h3,5,7-10,12-13,17H,2,4,6,11H2,1H3,(H,26,27,28)/t17-/m1/s1.
What are the key properties of 2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine has a molecular weight of 388.45 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine is sourced from PubChem (CID 121288329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).