6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine

C15H21BrN4O — CID 121275835

IUPAC6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine
SMILESCn1nc(NCCCN2CCOCC2)c2ccc(Br)cc21
InChIInChI=1S/C15H21BrN4O/c1-19-14-11-12(16)3-4-13(14)15(18-19)17-5-2-6-20-7-9-21-10-8-20/h3-4,11H,2,5-10H2,1H3,(H,17,18)
InChIKeyKAMBZZWZBQTLQV-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.47
Rot. Bonds5

About 6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine

6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine (PubChem CID 121275835) has the molecular formula C15H21BrN4O and a molecular weight of 353.26 g/mol. Its IUPAC name is 6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine.

Molecular Properties

Compound Name6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine
PubChem CID121275835
Molecular FormulaC15H21BrN4O
Molecular Weight353.26 g/mol
Exact Mass352.09
IUPAC Name6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine
SMILESCn1nc(NCCCN2CCOCC2)c2ccc(Br)cc21
InChIInChI=1S/C15H21BrN4O/c1-19-14-11-12(16)3-4-13(14)15(18-19)17-5-2-6-20-7-9-21-10-8-20/h3-4,11H,2,5-10H2,1H3,(H,17,18)
InChIKeyKAMBZZWZBQTLQV-UHFFFAOYSA-N
XLogP2.47
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 43348214
3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid
CID 154941998
2-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]quinazolin-5-amine
CID 34044453
6-bromo-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 728957
2-(4-bromophenyl)-6-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 68860928
2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 60986438
6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
CID 63961941
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204957
6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 21002676
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 82773805
5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66341208
4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 19143888

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine?
The IUPAC name of 6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine (CID 121275835) is 6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine.
What is the SMILES notation for 6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine?
The canonical SMILES for 6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine is Cn1nc(NCCCN2CCOCC2)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine?
The InChIKey is KAMBZZWZBQTLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4O/c1-19-14-11-12(16)3-4-13(14)15(18-19)17-5-2-6-20-7-9-21-10-8-20/h3-4,11H,2,5-10H2,1H3,(H,17,18).
What are the key properties of 6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine?
6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine has a molecular weight of 353.26 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine is sourced from PubChem (CID 121275835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).