[5-[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]-2H-triazol-4-yl]methanol

C24H24FN7O — CID 135520167

IUPAC[5-[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]-2H-triazol-4-yl]methanol
SMILESOCc1n[nH]nc1-c1ccc2c(-c3cc4cc(CN5CCC(F)CC5)ccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C24H24FN7O/c25-17-5-7-32(8-6-17)12-14-1-4-19-16(9-14)11-21(26-19)24-18-3-2-15(10-20(18)27-29-24)23-22(13-33)28-31-30-23/h1-4,9-11,17,26,33H,5-8,12-13H2,(H,27,29)(H,28,30,31)
InChIKeyDABXYMYBOCROGP-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.92
Rot. Bonds5

About [5-[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]-2H-triazol-4-yl]methanol

[5-[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]-2H-triazol-4-yl]methanol (PubChem CID 135520167) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is [5-[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]-2H-triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]-2H-triazol-4-yl]methanol
PubChem CID135520167
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC Name[5-[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]-2H-triazol-4-yl]methanol
SMILESOCc1n[nH]nc1-c1ccc2c(-c3cc4cc(CN5CCC(F)CC5)ccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C24H24FN7O/c25-17-5-7-32(8-6-17)12-14-1-4-19-16(9-14)11-21(26-19)24-18-3-2-15(10-20(18)27-29-24)23-22(13-33)28-31-30-23/h1-4,9-11,17,26,33H,5-8,12-13H2,(H,27,29)(H,28,30,31)
InChIKeyDABXYMYBOCROGP-UHFFFAOYSA-N
XLogP3.92
TPSA109.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]-2H-triazol-4-yl]methanol?
The IUPAC name of [5-[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]-2H-triazol-4-yl]methanol (CID 135520167) is [5-[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]-2H-triazol-4-yl]methanol.
What is the SMILES notation for [5-[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]-2H-triazol-4-yl]methanol?
The canonical SMILES for [5-[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]-2H-triazol-4-yl]methanol is OCc1n[nH]nc1-c1ccc2c(-c3cc4cc(CN5CCC(F)CC5)ccc4[nH]3)n[nH]c2c1.
What is the InChIKey of [5-[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]-2H-triazol-4-yl]methanol?
The InChIKey is DABXYMYBOCROGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O/c25-17-5-7-32(8-6-17)12-14-1-4-19-16(9-14)11-21(26-19)24-18-3-2-15(10-20(18)27-29-24)23-22(13-33)28-31-30-23/h1-4,9-11,17,26,33H,5-8,12-13H2,(H,27,29)(H,28,30,31).
What are the key properties of [5-[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]-2H-triazol-4-yl]methanol?
[5-[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]-2H-triazol-4-yl]methanol has a molecular weight of 445.50 g/mol, XLogP of 3.92, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]-2H-triazol-4-yl]methanol is sourced from PubChem (CID 135520167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).