(5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

C16H21BrN4O — CID 119646742

IUPAC(5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2n[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C16H21BrN4O/c1-2-18-10-11-5-7-21(8-6-11)16(22)15-13-9-12(17)3-4-14(13)19-20-15/h3-4,9,11,18H,2,5-8,10H2,1H3,(H,19,20)
InChIKeySBWVLGNPPYXLEW-UHFFFAOYSA-N
MW365.28 g/mol
LogP2.79
Rot. Bonds4

About (5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

(5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119646742) has the molecular formula C16H21BrN4O and a molecular weight of 365.28 g/mol. Its IUPAC name is (5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
PubChem CID119646742
Molecular FormulaC16H21BrN4O
Molecular Weight365.28 g/mol
Exact Mass364.09
IUPAC Name(5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2n[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C16H21BrN4O/c1-2-18-10-11-5-7-21(8-6-11)16(22)15-13-9-12(17)3-4-14(13)19-20-15/h3-4,9,11,18H,2,5-8,10H2,1H3,(H,19,20)
InChIKeySBWVLGNPPYXLEW-UHFFFAOYSA-N
XLogP2.79
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124612175
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
(5-bromo-1H-indazol-3-yl)-(1,4-diazepan-1-yl)methanone
CID 119416903
1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118304
(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646070
[4-(ethylaminomethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 80552354
[3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone;hydrochloride
CID 119595202
[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone
CID 119633174
6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119544979
1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 136524888
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-nitro-1H-indazol-3-yl)methanone
CID 119539126
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (CID 119646742) is (5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is CCNCC1CCN(C(=O)c2n[nH]c3ccc(Br)cc23)CC1.
What is the InChIKey of (5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is SBWVLGNPPYXLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4O/c1-2-18-10-11-5-7-21(8-6-11)16(22)15-13-9-12(17)3-4-14(13)19-20-15/h3-4,9,11,18H,2,5-8,10H2,1H3,(H,19,20).
What are the key properties of (5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
(5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 365.28 g/mol, XLogP of 2.79, 4 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)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119646742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).