[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone

C13H15BrN4O — CID 119633174

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone
SMILESNCC1CCCN1C(=O)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H15BrN4O/c14-8-3-4-11-10(6-8)12(17-16-11)13(19)18-5-1-2-9(18)7-15/h3-4,6,9H,1-2,5,7,15H2,(H,16,17)
InChIKeyLKSCUBQWWXMTOV-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.89
Rot. Bonds2

About [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone

[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone (PubChem CID 119633174) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone
PubChem CID119633174
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone
SMILESNCC1CCCN1C(=O)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H15BrN4O/c14-8-3-4-11-10(6-8)12(17-16-11)13(19)18-5-1-2-9(18)7-15/h3-4,6,9H,1-2,5,7,15H2,(H,16,17)
InChIKeyLKSCUBQWWXMTOV-UHFFFAOYSA-N
XLogP1.89
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one
CID 124702415
2-[2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-4-one
CID 126789938
(5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
CID 60905246
1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 136524888
[3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride
CID 119595202
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
(5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124612175
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone
CID 119631128
1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820474
(5-bromo-1H-indazol-3-yl)-(1,4-diazepan-1-yl)methanone
CID 119416903
[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 49049226
1-(5-amino-1H-indazole-3-carbonyl)piperidine-2-carboxamide
CID 61107580

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone (CID 119633174) is [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone is NCC1CCCN1C(=O)c1n[nH]c2ccc(Br)cc12.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone?
The InChIKey is LKSCUBQWWXMTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c14-8-3-4-11-10(6-8)12(17-16-11)13(19)18-5-1-2-9(18)7-15/h3-4,6,9H,1-2,5,7,15H2,(H,16,17).
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone has a molecular weight of 323.19 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone is sourced from PubChem (CID 119633174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).