6-bromo-1-phenyl-N-piperidin-1-ylindazole-3-carboxamide

C19H19BrN4O — CID 59169698

IUPAC6-bromo-1-phenyl-N-piperidin-1-ylindazole-3-carboxamide
SMILESO=C(NN1CCCCC1)c1nn(-c2ccccc2)c2cc(Br)ccc12
InChIInChI=1S/C19H19BrN4O/c20-14-9-10-16-17(13-14)24(15-7-3-1-4-8-15)21-18(16)19(25)22-23-11-5-2-6-12-23/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,22,25)
InChIKeyLPXNERFWCSBSPY-UHFFFAOYSA-N
MW399.29 g/mol
LogP3.92
Rot. Bonds3

About 6-bromo-1-phenyl-N-piperidin-1-ylindazole-3-carboxamide

6-bromo-1-phenyl-N-piperidin-1-ylindazole-3-carboxamide (PubChem CID 59169698) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is 6-bromo-1-phenyl-N-piperidin-1-ylindazole-3-carboxamide.

Molecular Properties

Compound Name6-bromo-1-phenyl-N-piperidin-1-ylindazole-3-carboxamide
PubChem CID59169698
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name6-bromo-1-phenyl-N-piperidin-1-ylindazole-3-carboxamide
SMILESO=C(NN1CCCCC1)c1nn(-c2ccccc2)c2cc(Br)ccc12
InChIInChI=1S/C19H19BrN4O/c20-14-9-10-16-17(13-14)24(15-7-3-1-4-8-15)21-18(16)19(25)22-23-11-5-2-6-12-23/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,22,25)
InChIKeyLPXNERFWCSBSPY-UHFFFAOYSA-N
XLogP3.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 69111813
5-(4-bromophenyl)-4-methyl-1-pentyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 44282639
4-methyl-1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 71583522
1-[2-[[2-(3-Bromo-2-fluoroanilino)-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299655
1-[2-[[2-(3-Bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299849
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
CID 25163514
N-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indazole-3-carboxamide
CID 55861113
(1R,5S)-8-azabicyclo[3.2.1]oct-2-en-8-yl(6-bromo-2-methyl-2H-indazol-3-yl)methanone
CID 73168778
5-(4-bromophenyl)-4-methyl-N-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 76335526
5-bromo-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 127037286
N-benzyl-2-(6-bromoindazol-2-yl)benzamide
CID 137661628
6-bromo-N'-phenyl-1H-indazole-3-carbohydrazide
CID 172462171

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-phenyl-N-piperidin-1-ylindazole-3-carboxamide?
The IUPAC name of 6-bromo-1-phenyl-N-piperidin-1-ylindazole-3-carboxamide (CID 59169698) is 6-bromo-1-phenyl-N-piperidin-1-ylindazole-3-carboxamide.
What is the SMILES notation for 6-bromo-1-phenyl-N-piperidin-1-ylindazole-3-carboxamide?
The canonical SMILES for 6-bromo-1-phenyl-N-piperidin-1-ylindazole-3-carboxamide is O=C(NN1CCCCC1)c1nn(-c2ccccc2)c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-phenyl-N-piperidin-1-ylindazole-3-carboxamide?
The InChIKey is LPXNERFWCSBSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c20-14-9-10-16-17(13-14)24(15-7-3-1-4-8-15)21-18(16)19(25)22-23-11-5-2-6-12-23/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,22,25).
What are the key properties of 6-bromo-1-phenyl-N-piperidin-1-ylindazole-3-carboxamide?
6-bromo-1-phenyl-N-piperidin-1-ylindazole-3-carboxamide has a molecular weight of 399.29 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-phenyl-N-piperidin-1-ylindazole-3-carboxamide is sourced from PubChem (CID 59169698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).