3-[5-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-1,2,4-triazol-5-yl]-1H-indazol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide

C26H34N8O — CID 142209045

IUPAC3-[5-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-1,2,4-triazol-5-yl]-1H-indazol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESCN(C)CC1N=C(c2ccc3[nH]nc(-c4cccc(C(=O)NCCN5CCCCC5)c4)c3c2)NN1
InChIInChI=1S/C26H34N8O/c1-33(2)17-23-28-25(32-30-23)19-9-10-22-21(16-19)24(31-29-22)18-7-6-8-20(15-18)26(35)27-11-14-34-12-4-3-5-13-34/h6-10,15-16,23,30H,3-5,11-14,17H2,1-2H3,(H,27,35)(H,28,32)(H,29,31)
InChIKeyPNYXSTBQAMDGGY-UHFFFAOYSA-N
MW474.61 g/mol
LogP2.19
Rot. Bonds8

About 3-[5-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-1,2,4-triazol-5-yl]-1H-indazol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide

3-[5-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-1,2,4-triazol-5-yl]-1H-indazol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 142209045) has the molecular formula C26H34N8O and a molecular weight of 474.61 g/mol. Its IUPAC name is 3-[5-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-1,2,4-triazol-5-yl]-1H-indazol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-[5-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-1,2,4-triazol-5-yl]-1H-indazol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID142209045
Molecular FormulaC26H34N8O
Molecular Weight474.61 g/mol
Exact Mass474.29
IUPAC Name3-[5-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-1,2,4-triazol-5-yl]-1H-indazol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESCN(C)CC1N=C(c2ccc3[nH]nc(-c4cccc(C(=O)NCCN5CCCCC5)c4)c3c2)NN1
InChIInChI=1S/C26H34N8O/c1-33(2)17-23-28-25(32-30-23)19-9-10-22-21(16-19)24(31-29-22)18-7-6-8-20(15-18)26(35)27-11-14-34-12-4-3-5-13-34/h6-10,15-16,23,30H,3-5,11-14,17H2,1-2H3,(H,27,35)(H,28,32)(H,29,31)
InChIKeyPNYXSTBQAMDGGY-UHFFFAOYSA-N
XLogP2.19
TPSA100.68 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-[5-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-1,2,4-triazol-5-yl]-1H-indazol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide with MolForge

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Related Compounds

3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 50847599
N-methyl-3-[5-[5-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide
CID 121378206
3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide
CID 74437257
2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 135750617
3-(6-methoxynaphthalen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indazole-5-carboxamide
CID 25257366
5-methyl-N-(2-piperidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 78878733
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 118760625
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682573
3-(3-amino-1H-indazol-5-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]benzamide
CID 122558701
3-(3-formyl-4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 170991948

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-1,2,4-triazol-5-yl]-1H-indazol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-[5-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-1,2,4-triazol-5-yl]-1H-indazol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide (CID 142209045) is 3-[5-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-1,2,4-triazol-5-yl]-1H-indazol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-[5-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-1,2,4-triazol-5-yl]-1H-indazol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-[5-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-1,2,4-triazol-5-yl]-1H-indazol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide is CN(C)CC1N=C(c2ccc3[nH]nc(-c4cccc(C(=O)NCCN5CCCCC5)c4)c3c2)NN1.
What is the InChIKey of 3-[5-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-1,2,4-triazol-5-yl]-1H-indazol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is PNYXSTBQAMDGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O/c1-33(2)17-23-28-25(32-30-23)19-9-10-22-21(16-19)24(31-29-22)18-7-6-8-20(15-18)26(35)27-11-14-34-12-4-3-5-13-34/h6-10,15-16,23,30H,3-5,11-14,17H2,1-2H3,(H,27,35)(H,28,32)(H,29,31).
What are the key properties of 3-[5-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-1,2,4-triazol-5-yl]-1H-indazol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide?
3-[5-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-1,2,4-triazol-5-yl]-1H-indazol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 474.61 g/mol, XLogP of 2.19, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-1,2,4-triazol-5-yl]-1H-indazol-3-yl]-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 142209045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).