(5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone

C14H17BrN4O — CID 124612175

IUPAC(5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@H]1CCCN(C(=O)c2n[nH]c3ccc(Br)cc23)C1
InChIInChI=1S/C14H17BrN4O/c1-16-10-3-2-6-19(8-10)14(20)13-11-7-9(15)4-5-12(11)17-18-13/h4-5,7,10,16H,2-3,6,8H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyXGRAEEZZEKJVBF-JTQLQIEISA-N
MW337.22 g/mol
LogP2.15
Rot. Bonds2

About (5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone

(5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone (PubChem CID 124612175) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is (5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone
PubChem CID124612175
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name(5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@H]1CCCN(C(=O)c2n[nH]c3ccc(Br)cc23)C1
InChIInChI=1S/C14H17BrN4O/c1-16-10-3-2-6-19(8-10)14(20)13-11-7-9(15)4-5-12(11)17-18-13/h4-5,7,10,16H,2-3,6,8H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyXGRAEEZZEKJVBF-JTQLQIEISA-N
XLogP2.15
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride
CID 119595202
3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one
CID 124575581
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
(5-bromo-1H-indazol-3-yl)-(1,4-diazepan-1-yl)methanone
CID 119416903
(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535972
(5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646742
1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 136524888
1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118304
(7-bromo-2-methylquinolin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575462
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181
[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone
CID 119633174
(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
CID 124698920

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone (CID 124612175) is (5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone is CN[C@H]1CCCN(C(=O)c2n[nH]c3ccc(Br)cc23)C1.
What is the InChIKey of (5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is XGRAEEZZEKJVBF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-16-10-3-2-6-19(8-10)14(20)13-11-7-9(15)4-5-12(11)17-18-13/h4-5,7,10,16H,2-3,6,8H2,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of (5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone?
(5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 337.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 124612175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).