N-(1-butylpiperidin-4-yl)-5-chloro-1H-indazole-3-carboxamide

C17H23ClN4O — CID 138995778

IUPACN-(1-butylpiperidin-4-yl)-5-chloro-1H-indazole-3-carboxamide
SMILESCCCCN1CCC(NC(=O)c2n[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C17H23ClN4O/c1-2-3-8-22-9-6-13(7-10-22)19-17(23)16-14-11-12(18)4-5-15(14)20-21-16/h4-5,11,13H,2-3,6-10H2,1H3,(H,19,23)(H,20,21)
InChIKeyRVVUHWHVYLQTGG-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.21
Rot. Bonds5

About N-(1-butylpiperidin-4-yl)-5-chloro-1H-indazole-3-carboxamide

N-(1-butylpiperidin-4-yl)-5-chloro-1H-indazole-3-carboxamide (PubChem CID 138995778) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)-5-chloro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)-5-chloro-1H-indazole-3-carboxamide
PubChem CID138995778
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC NameN-(1-butylpiperidin-4-yl)-5-chloro-1H-indazole-3-carboxamide
SMILESCCCCN1CCC(NC(=O)c2n[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C17H23ClN4O/c1-2-3-8-22-9-6-13(7-10-22)19-17(23)16-14-11-12(18)4-5-15(14)20-21-16/h4-5,11,13H,2-3,6-10H2,1H3,(H,19,23)(H,20,21)
InChIKeyRVVUHWHVYLQTGG-UHFFFAOYSA-N
XLogP3.21
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-chloro-3-pyridinyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 118381140
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-1H-indazole-3-carboxamide
CID 11544830
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine
CID 70352726
3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 64525063
5-(2,3-dimethylimidazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 139431435
5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
CID 11659418
5-(1-aminoisoquinolin-7-yl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 171446132
5-amino-N-(3-methylcyclopentyl)-1H-indazole-3-carboxamide
CID 114542564
N-(1-butylpiperidin-4-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763066
N-(1-butylpiperidin-4-yl)-4-(chloromethyl)benzamide
CID 43696349
N-(1-acetylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10108057

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)-5-chloro-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-butylpiperidin-4-yl)-5-chloro-1H-indazole-3-carboxamide (CID 138995778) is N-(1-butylpiperidin-4-yl)-5-chloro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)-5-chloro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-butylpiperidin-4-yl)-5-chloro-1H-indazole-3-carboxamide is CCCCN1CCC(NC(=O)c2n[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)-5-chloro-1H-indazole-3-carboxamide?
The InChIKey is RVVUHWHVYLQTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-2-3-8-22-9-6-13(7-10-22)19-17(23)16-14-11-12(18)4-5-15(14)20-21-16/h4-5,11,13H,2-3,6-10H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-(1-butylpiperidin-4-yl)-5-chloro-1H-indazole-3-carboxamide?
N-(1-butylpiperidin-4-yl)-5-chloro-1H-indazole-3-carboxamide has a molecular weight of 334.85 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)-5-chloro-1H-indazole-3-carboxamide is sourced from PubChem (CID 138995778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).