5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride

C14H18BrClN4O — CID 120597988

IUPAC5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2n[nH]c3ccc(Br)cc23)CCN1.Cl
InChIInChI=1S/C14H17BrN4O.ClH/c1-8-6-10(4-5-16-8)17-14(20)13-11-7-9(15)2-3-12(11)18-19-13;/h2-3,7-8,10,16H,4-6H2,1H3,(H,17,20)(H,18,19);1H
InChIKeyQEIYDASBPCTYJK-UHFFFAOYSA-N
MW373.68 g/mol
LogP2.62
Rot. Bonds2

About 5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride

5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride (PubChem CID 120597988) has the molecular formula C14H18BrClN4O and a molecular weight of 373.68 g/mol. Its IUPAC name is 5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride
PubChem CID120597988
Molecular FormulaC14H18BrClN4O
Molecular Weight373.68 g/mol
Exact Mass372.04
IUPAC Name5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2n[nH]c3ccc(Br)cc23)CCN1.Cl
InChIInChI=1S/C14H17BrN4O.ClH/c1-8-6-10(4-5-16-8)17-14(20)13-11-7-9(15)2-3-12(11)18-19-13;/h2-3,7-8,10,16H,4-6H2,1H3,(H,17,20)(H,18,19);1H
InChIKeyQEIYDASBPCTYJK-UHFFFAOYSA-N
XLogP2.62
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide
CID 119427244
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CID 120599389
5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 120602547
5-amino-N-(3-methylcyclopentyl)-1H-indazole-3-carboxamide
CID 114542564
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
7-bromo-2-methyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide
CID 120599071
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide
CID 66636210
5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide
CID 166150369
N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
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2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120597912
5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
CID 11659418
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide
CID 78868865

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride (CID 120597988) is 5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride is CC1CC(NC(=O)c2n[nH]c3ccc(Br)cc23)CCN1.Cl.
What is the InChIKey of 5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride?
The InChIKey is QEIYDASBPCTYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O.ClH/c1-8-6-10(4-5-16-8)17-14(20)13-11-7-9(15)2-3-12(11)18-19-13;/h2-3,7-8,10,16H,4-6H2,1H3,(H,17,20)(H,18,19);1H.
What are the key properties of 5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride?
5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride has a molecular weight of 373.68 g/mol, XLogP of 2.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120597988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).