3-bromo-2-piperidin-4-ylindazole-7-carboxamide

C13H15BrN4O — CID 56645262

IUPAC3-bromo-2-piperidin-4-ylindazole-7-carboxamide
SMILESNC(=O)c1cccc2c(Br)n(C3CCNCC3)nc12
InChIInChI=1S/C13H15BrN4O/c14-12-9-2-1-3-10(13(15)19)11(9)17-18(12)8-4-6-16-7-5-8/h1-3,8,16H,4-7H2,(H2,15,19)
InChIKeyRJBQIPPXOKMFRY-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.82
Rot. Bonds2

About 3-bromo-2-piperidin-4-ylindazole-7-carboxamide

3-bromo-2-piperidin-4-ylindazole-7-carboxamide (PubChem CID 56645262) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-bromo-2-piperidin-4-ylindazole-7-carboxamide.

Molecular Properties

Compound Name3-bromo-2-piperidin-4-ylindazole-7-carboxamide
PubChem CID56645262
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name3-bromo-2-piperidin-4-ylindazole-7-carboxamide
SMILESNC(=O)c1cccc2c(Br)n(C3CCNCC3)nc12
InChIInChI=1S/C13H15BrN4O/c14-12-9-2-1-3-10(13(15)19)11(9)17-18(12)8-4-6-16-7-5-8/h1-3,8,16H,4-7H2,(H2,15,19)
InChIKeyRJBQIPPXOKMFRY-UHFFFAOYSA-N
XLogP1.82
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-piperidin-4-ylindazole-7-carboxamide?
The IUPAC name of 3-bromo-2-piperidin-4-ylindazole-7-carboxamide (CID 56645262) is 3-bromo-2-piperidin-4-ylindazole-7-carboxamide.
What is the SMILES notation for 3-bromo-2-piperidin-4-ylindazole-7-carboxamide?
The canonical SMILES for 3-bromo-2-piperidin-4-ylindazole-7-carboxamide is NC(=O)c1cccc2c(Br)n(C3CCNCC3)nc12.
What is the InChIKey of 3-bromo-2-piperidin-4-ylindazole-7-carboxamide?
The InChIKey is RJBQIPPXOKMFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c14-12-9-2-1-3-10(13(15)19)11(9)17-18(12)8-4-6-16-7-5-8/h1-3,8,16H,4-7H2,(H2,15,19).
What are the key properties of 3-bromo-2-piperidin-4-ylindazole-7-carboxamide?
3-bromo-2-piperidin-4-ylindazole-7-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-piperidin-4-ylindazole-7-carboxamide is sourced from PubChem (CID 56645262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).