N-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide

C23H24N4O4 — CID 60571041

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)Nc3cc(C)nn3Cc3ccccc3)[nH]c2c1OC
InChIInChI=1S/C23H24N4O4/c1-14-10-20(27(26-14)13-15-8-6-5-7-9-15)25-23(28)17-11-16-18(29-2)12-19(30-3)22(31-4)21(16)24-17/h5-12,24H,13H2,1-4H3,(H,25,28)
InChIKeyBPJXYPHUMMLANL-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.00
Rot. Bonds7

About N-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide

N-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide (PubChem CID 60571041) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
PubChem CID60571041
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)Nc3cc(C)nn3Cc3ccccc3)[nH]c2c1OC
InChIInChI=1S/C23H24N4O4/c1-14-10-20(27(26-14)13-15-8-6-5-7-9-15)25-23(28)17-11-16-18(29-2)12-19(30-3)22(31-4)21(16)24-17/h5-12,24H,13H2,1-4H3,(H,25,28)
InChIKeyBPJXYPHUMMLANL-UHFFFAOYSA-N
XLogP4.00
TPSA90.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 60571067
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55550889
N-(2-benzyl-5-methylpyrazol-3-yl)-2-fluoro-4-methoxybenzamide
CID 86922182
1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 39891220
N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 46445811
N-(2-benzyl-5-methylpyrazol-3-yl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55551943
N-(2-benzyl-5-methylpyrazol-3-yl)-2,6-dichloropyridine-3-carboxamide
CID 52762664
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 5300709
4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 31953617
4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 39904436
4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide
CID 55847127
N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 112822182

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide (CID 60571041) is N-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide is COc1cc(OC)c2cc(C(=O)Nc3cc(C)nn3Cc3ccccc3)[nH]c2c1OC.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The InChIKey is BPJXYPHUMMLANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-14-10-20(27(26-14)13-15-8-6-5-7-9-15)25-23(28)17-11-16-18(29-2)12-19(30-3)22(31-4)21(16)24-17/h5-12,24H,13H2,1-4H3,(H,25,28).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 60571041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).