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

C22H23FN4O — CID 136640448

IUPAC[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]methanol
SMILESOCc1ccc2c(-c3cc4cc(CN5CCC(F)CC5)ccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C22H23FN4O/c23-17-5-7-27(8-6-17)12-14-2-4-19-16(9-14)11-21(24-19)22-18-3-1-15(13-28)10-20(18)25-26-22/h1-4,9-11,17,24,28H,5-8,12-13H2,(H,25,26)
InChIKeyWNKZFCKHKSNEHW-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.14
Rot. Bonds4

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

[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]methanol (PubChem CID 136640448) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is [3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]methanol.

Molecular Properties

Compound Name[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]methanol
PubChem CID136640448
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]methanol
SMILESOCc1ccc2c(-c3cc4cc(CN5CCC(F)CC5)ccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C22H23FN4O/c23-17-5-7-27(8-6-17)12-14-2-4-19-16(9-14)11-21(24-19)22-18-3-1-15(13-28)10-20(18)25-26-22/h1-4,9-11,17,24,28H,5-8,12-13H2,(H,25,26)
InChIKeyWNKZFCKHKSNEHW-UHFFFAOYSA-N
XLogP4.14
TPSA67.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]methanol?
The IUPAC name of [3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]methanol (CID 136640448) is [3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]methanol.
What is the SMILES notation for [3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]methanol?
The canonical SMILES for [3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]methanol is OCc1ccc2c(-c3cc4cc(CN5CCC(F)CC5)ccc4[nH]3)n[nH]c2c1.
What is the InChIKey of [3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]methanol?
The InChIKey is WNKZFCKHKSNEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-17-5-7-27(8-6-17)12-14-2-4-19-16(9-14)11-21(24-19)22-18-3-1-15(13-28)10-20(18)25-26-22/h1-4,9-11,17,24,28H,5-8,12-13H2,(H,25,26).
What are the key properties of [3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]methanol?
[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]methanol has a molecular weight of 378.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]methanol is sourced from PubChem (CID 136640448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).