N-[1-[(3-bromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

C19H21BrN4 — CID 57446048

IUPACN-[1-[(3-bromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESBrc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C19H21BrN4/c20-16-4-1-3-14(9-16)12-24-8-2-5-18(13-24)22-17-6-7-19-15(10-17)11-21-23-19/h1,3-4,6-7,9-11,18,22H,2,5,8,12-13H2,(H,21,23)
InChIKeyRKFCSIVIFMVTFQ-UHFFFAOYSA-N
MW385.31 g/mol
LogP4.40
Rot. Bonds4

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

N-[1-[(3-bromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 57446048) has the molecular formula C19H21BrN4 and a molecular weight of 385.31 g/mol. Its IUPAC name is N-[1-[(3-bromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-[(3-bromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
PubChem CID57446048
Molecular FormulaC19H21BrN4
Molecular Weight385.31 g/mol
Exact Mass384.09
IUPAC NameN-[1-[(3-bromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESBrc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C19H21BrN4/c20-16-4-1-3-14(9-16)12-24-8-2-5-18(13-24)22-17-6-7-19-15(10-17)11-21-23-19/h1,3-4,6-7,9-11,18,22H,2,5,8,12-13H2,(H,21,23)
InChIKeyRKFCSIVIFMVTFQ-UHFFFAOYSA-N
XLogP4.40
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-bromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-[(3-bromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (CID 57446048) is N-[1-[(3-bromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-[(3-bromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-[(3-bromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is Brc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of N-[1-[(3-bromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is RKFCSIVIFMVTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4/c20-16-4-1-3-14(9-16)12-24-8-2-5-18(13-24)22-17-6-7-19-15(10-17)11-21-23-19/h1,3-4,6-7,9-11,18,22H,2,5,8,12-13H2,(H,21,23).
What are the key properties of N-[1-[(3-bromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
N-[1-[(3-bromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 385.31 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-bromophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 57446048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).