5-bromo-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide

C22H25BrN4O — CID 127037286

IUPAC5-bromo-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCN(CCc2ccccc2)CC1)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C22H25BrN4O/c23-18-6-7-20-19(14-18)21(26-25-20)22(28)24-15-17-9-12-27(13-10-17)11-8-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,24,28)(H,25,26)
InChIKeyGDAAWUOBBFBXAB-UHFFFAOYSA-N
MW441.37 g/mol
LogP4.01
Rot. Bonds6

About 5-bromo-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide

5-bromo-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 127037286) has the molecular formula C22H25BrN4O and a molecular weight of 441.37 g/mol. Its IUPAC name is 5-bromo-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
PubChem CID127037286
Molecular FormulaC22H25BrN4O
Molecular Weight441.37 g/mol
Exact Mass440.12
IUPAC Name5-bromo-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCN(CCc2ccccc2)CC1)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C22H25BrN4O/c23-18-6-7-20-19(14-18)21(26-25-20)22(28)24-15-17-9-12-27(13-10-17)11-8-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,24,28)(H,25,26)
InChIKeyGDAAWUOBBFBXAB-UHFFFAOYSA-N
XLogP4.01
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.37
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-bromo-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (CID 127037286) is 5-bromo-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is O=C(NCC1CCN(CCc2ccccc2)CC1)c1n[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is GDAAWUOBBFBXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN4O/c23-18-6-7-20-19(14-18)21(26-25-20)22(28)24-15-17-9-12-27(13-10-17)11-8-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,24,28)(H,25,26).
What are the key properties of 5-bromo-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
5-bromo-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 441.37 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 127037286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).