N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide

C17H17N3O4 — CID 6468296

IUPACN-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc3[nH]ncc3c2)cc1OC
InChIInChI=1S/C17H17N3O4/c1-22-14-8-16(24-3)15(23-2)7-12(14)17(21)19-11-4-5-13-10(6-11)9-18-20-13/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyDGSQGSVOSKYWCQ-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.84
Rot. Bonds5

About N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide

N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide (PubChem CID 6468296) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide
PubChem CID6468296
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc3[nH]ncc3c2)cc1OC
InChIInChI=1S/C17H17N3O4/c1-22-14-8-16(24-3)15(23-2)7-12(14)17(21)19-11-4-5-13-10(6-11)9-18-20-13/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyDGSQGSVOSKYWCQ-UHFFFAOYSA-N
XLogP2.84
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide
CID 79771081
2-fluoro-N-(1H-indazol-5-yl)benzamide
CID 5078247
N-(1H-indazol-5-yl)-2-methylfuran-3-carboxamide
CID 17148684
N-(1H-indazol-5-yl)-2-phenoxybenzamide
CID 117073693
N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55774547
5-bromo-N-(1H-indazol-5-yl)-2-methylbenzamide
CID 65311684
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
methyl 2-[3-(1H-indazol-5-ylcarbamoyl)furan-2-yl]acetate
CID 119052110
N-(1H-indazol-6-yl)-2,6-dimethoxybenzamide
CID 110731190
2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
CID 18146468
3-chloro-N-(1H-indazol-5-yl)-4-(3-methoxy-2-pyridinyl)benzamide
CID 59673395
N-(1H-indazol-5-yl)-5-methyl-1,3-oxazole-2-carboxamide
CID 112527219

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide?
The IUPAC name of N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide (CID 6468296) is N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)Nc2ccc3[nH]ncc3c2)cc1OC.
What is the InChIKey of N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide?
The InChIKey is DGSQGSVOSKYWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-22-14-8-16(24-3)15(23-2)7-12(14)17(21)19-11-4-5-13-10(6-11)9-18-20-13/h4-9H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide?
N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide has a molecular weight of 327.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 6468296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).