2-[1-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine

C21H19FN6 — CID 121288400

IUPAC2-[1-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
SMILESCc1n[nH]nc1-c1ccnc(-c2cn(C[C@@H]3CCc4cc(F)ccc43)cn2)c1
InChIInChI=1S/C21H19FN6/c1-13-21(26-27-25-13)15-6-7-23-19(9-15)20-11-28(12-24-20)10-16-3-2-14-8-17(22)4-5-18(14)16/h4-9,11-12,16H,2-3,10H2,1H3,(H,25,26,27)/t16-/m0/s1
InChIKeyNTNGACUMDAGUEF-INIZCTEOSA-N
MW374.42 g/mol
LogP3.91
Rot. Bonds4

About 2-[1-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine

2-[1-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine (PubChem CID 121288400) has the molecular formula C21H19FN6 and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-[1-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[1-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
PubChem CID121288400
Molecular FormulaC21H19FN6
Molecular Weight374.42 g/mol
Exact Mass374.17
IUPAC Name2-[1-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
SMILESCc1n[nH]nc1-c1ccnc(-c2cn(C[C@@H]3CCc4cc(F)ccc43)cn2)c1
InChIInChI=1S/C21H19FN6/c1-13-21(26-27-25-13)15-6-7-23-19(9-15)20-11-28(12-24-20)10-16-3-2-14-8-17(22)4-5-18(14)16/h4-9,11-12,16H,2-3,10H2,1H3,(H,25,26,27)/t16-/m0/s1
InChIKeyNTNGACUMDAGUEF-INIZCTEOSA-N
XLogP3.91
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The IUPAC name of 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) is 2-[1-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine.
What is the SMILES notation for 2-[1-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The canonical SMILES for 2-[1-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine is Cc1n[nH]nc1-c1ccnc(-c2cn(C[C@@H]3CCc4cc(F)ccc43)cn2)c1.
What is the InChIKey of 2-[1-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The InChIKey is NTNGACUMDAGUEF-INIZCTEOSA-N. The full InChI is InChI=1S/C21H19FN6/c1-13-21(26-27-25-13)15-6-7-23-19(9-15)20-11-28(12-24-20)10-16-3-2-14-8-17(22)4-5-18(14)16/h4-9,11-12,16H,2-3,10H2,1H3,(H,25,26,27)/t16-/m0/s1.
What are the key properties of 2-[1-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
2-[1-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine has a molecular weight of 374.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine is sourced from PubChem (CID 121288400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).