N-[1-[(2,5-dibromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

C19H20Br2N4 — CID 57446063

IUPACN-[1-[(2,5-dibromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESBrc1ccc(Br)c(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C19H20Br2N4/c20-15-3-5-18(21)14(8-15)11-25-7-1-2-17(12-25)23-16-4-6-19-13(9-16)10-22-24-19/h3-6,8-10,17,23H,1-2,7,11-12H2,(H,22,24)
InChIKeyDJENEJYAILABCR-UHFFFAOYSA-N
MW464.21 g/mol
LogP5.16
Rot. Bonds4

About N-[1-[(2,5-dibromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

N-[1-[(2,5-dibromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 57446063) has the molecular formula C19H20Br2N4 and a molecular weight of 464.21 g/mol. Its IUPAC name is N-[1-[(2,5-dibromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-[(2,5-dibromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
PubChem CID57446063
Molecular FormulaC19H20Br2N4
Molecular Weight464.21 g/mol
Exact Mass462.01
IUPAC NameN-[1-[(2,5-dibromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESBrc1ccc(Br)c(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C19H20Br2N4/c20-15-3-5-18(21)14(8-15)11-25-7-1-2-17(12-25)23-16-4-6-19-13(9-16)10-22-24-19/h3-6,8-10,17,23H,1-2,7,11-12H2,(H,22,24)
InChIKeyDJENEJYAILABCR-UHFFFAOYSA-N
XLogP5.16
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.21
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-dibromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-[(2,5-dibromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (CID 57446063) is N-[1-[(2,5-dibromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-[(2,5-dibromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-[(2,5-dibromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is Brc1ccc(Br)c(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of N-[1-[(2,5-dibromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is DJENEJYAILABCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N4/c20-15-3-5-18(21)14(8-15)11-25-7-1-2-17(12-25)23-16-4-6-19-13(9-16)10-22-24-19/h3-6,8-10,17,23H,1-2,7,11-12H2,(H,22,24).
What are the key properties of N-[1-[(2,5-dibromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
N-[1-[(2,5-dibromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 464.21 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-dibromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 57446063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).