5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide

C13H15BrN4O — CID 119427244

IUPAC5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(NC1CCCNC1)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H15BrN4O/c14-8-3-4-11-10(6-8)12(18-17-11)13(19)16-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,19)(H,17,18)
InChIKeyFWUHRRUMIPDLDD-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.81
Rot. Bonds2

About 5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide

5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide (PubChem CID 119427244) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide
PubChem CID119427244
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(NC1CCCNC1)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H15BrN4O/c14-8-3-4-11-10(6-8)12(18-17-11)13(19)16-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,19)(H,17,18)
InChIKeyFWUHRRUMIPDLDD-UHFFFAOYSA-N
XLogP1.81
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride
CID 120597988
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide
CID 66636210
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
3-bromo-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
CID 107520277
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
(5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124612175
(5-bromo-1H-indazol-3-yl)-(1,4-diazepan-1-yl)methanone
CID 119416903
N-(azepan-3-yl)-5-bromo-2-methylbenzamide
CID 65311485
1-(3-bromophenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119429284
N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide
CID 35375238
N-[(3R)-piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 104645486
N-(2-piperidin-3-ylethyl)-1H-indazole-3-carboxamide
CID 63629056

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of 5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide (CID 119427244) is 5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide is O=C(NC1CCCNC1)c1n[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is FWUHRRUMIPDLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c14-8-3-4-11-10(6-8)12(18-17-11)13(19)16-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,19)(H,17,18).
What are the key properties of 5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide?
5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 119427244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).