N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

C25H29N7O — CID 11408133

IUPACN-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESCC1(C)CC(NC(=O)c2cccc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)c2)CC(C)(C)N1
InChIInChI=1S/C25H29N7O/c1-24(2)12-18(13-25(3,4)32-24)28-23(33)17-7-5-6-15(10-17)21-19-11-16(22-26-14-27-31-22)8-9-20(19)29-30-21/h5-11,14,18,32H,12-13H2,1-4H3,(H,28,33)(H,29,30)(H,26,27,31)
InChIKeyAPRJKPFBZZTQBS-UHFFFAOYSA-N
MW443.56 g/mol
LogP4.05
Rot. Bonds4

About N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (PubChem CID 11408133) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
PubChem CID11408133
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESCC1(C)CC(NC(=O)c2cccc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)c2)CC(C)(C)N1
InChIInChI=1S/C25H29N7O/c1-24(2)12-18(13-25(3,4)32-24)28-23(33)17-7-5-6-15(10-17)21-19-11-16(22-26-14-27-31-22)8-9-20(19)29-30-21/h5-11,14,18,32H,12-13H2,1-4H3,(H,28,33)(H,29,30)(H,26,27,31)
InChIKeyAPRJKPFBZZTQBS-UHFFFAOYSA-N
XLogP4.05
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
CID 20789123
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
3-(3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 21092512
4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide
CID 22479828
1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea
CID 11187101
3-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
CID 142662883
(1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 20788996
3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 22479813
3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]imidazolidine-2,4-dione
CID 11279829
2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
CID 22479879
3-(3-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 155970156
3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 11451717

Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (CID 11408133) is N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is CC1(C)CC(NC(=O)c2cccc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)c2)CC(C)(C)N1.
What is the InChIKey of N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is APRJKPFBZZTQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-24(2)12-18(13-25(3,4)32-24)28-23(33)17-7-5-6-15(10-17)21-19-11-16(22-26-14-27-31-22)8-9-20(19)29-30-21/h5-11,14,18,32H,12-13H2,1-4H3,(H,28,33)(H,29,30)(H,26,27,31).
What are the key properties of N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 443.56 g/mol, XLogP of 4.05, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 11408133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).