N-[1-[[1-[2-(3-fluorophenyl)acetyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]acetamide

C23H25FN4O3 — CID 92550711

IUPACN-[1-[[1-[2-(3-fluorophenyl)acetyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2cnn(CC3(O)CCN(C(=O)Cc4cccc(F)c4)CC3)c2c1
InChIInChI=1S/C23H25FN4O3/c1-16(29)26-20-6-5-18-14-25-28(21(18)13-20)15-23(31)7-9-27(10-8-23)22(30)12-17-3-2-4-19(24)11-17/h2-6,11,13-14,31H,7-10,12,15H2,1H3,(H,26,29)
InChIKeyHNQBOWVELDVNKC-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.73
Rot. Bonds5

About N-[1-[[1-[2-(3-fluorophenyl)acetyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]acetamide

N-[1-[[1-[2-(3-fluorophenyl)acetyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]acetamide (PubChem CID 92550711) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[1-[[1-[2-(3-fluorophenyl)acetyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[1-[2-(3-fluorophenyl)acetyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]acetamide
PubChem CID92550711
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC NameN-[1-[[1-[2-(3-fluorophenyl)acetyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2cnn(CC3(O)CCN(C(=O)Cc4cccc(F)c4)CC3)c2c1
InChIInChI=1S/C23H25FN4O3/c1-16(29)26-20-6-5-18-14-25-28(21(18)13-20)15-23(31)7-9-27(10-8-23)22(30)12-17-3-2-4-19(24)11-17/h2-6,11,13-14,31H,7-10,12,15H2,1H3,(H,26,29)
InChIKeyHNQBOWVELDVNKC-UHFFFAOYSA-N
XLogP2.73
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[2-(3-fluorophenyl)acetyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]acetamide?
The IUPAC name of N-[1-[[1-[2-(3-fluorophenyl)acetyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]acetamide (CID 92550711) is N-[1-[[1-[2-(3-fluorophenyl)acetyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]acetamide.
What is the SMILES notation for N-[1-[[1-[2-(3-fluorophenyl)acetyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]acetamide?
The canonical SMILES for N-[1-[[1-[2-(3-fluorophenyl)acetyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]acetamide is CC(=O)Nc1ccc2cnn(CC3(O)CCN(C(=O)Cc4cccc(F)c4)CC3)c2c1.
What is the InChIKey of N-[1-[[1-[2-(3-fluorophenyl)acetyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]acetamide?
The InChIKey is HNQBOWVELDVNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-16(29)26-20-6-5-18-14-25-28(21(18)13-20)15-23(31)7-9-27(10-8-23)22(30)12-17-3-2-4-19(24)11-17/h2-6,11,13-14,31H,7-10,12,15H2,1H3,(H,26,29).
What are the key properties of N-[1-[[1-[2-(3-fluorophenyl)acetyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]acetamide?
N-[1-[[1-[2-(3-fluorophenyl)acetyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]acetamide has a molecular weight of 424.48 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[2-(3-fluorophenyl)acetyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]acetamide is sourced from PubChem (CID 92550711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).