4,6,7-trimethoxy-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide

C21H22N6O4 — CID 56521176

IUPAC4,6,7-trimethoxy-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)Nc3ccc(C)c(-n4nnnc4C)c3)[nH]c2c1OC
InChIInChI=1S/C21H22N6O4/c1-11-6-7-13(8-16(11)27-12(2)24-25-26-27)22-21(28)15-9-14-17(29-3)10-18(30-4)20(31-5)19(14)23-15/h6-10,23H,1-5H3,(H,22,28)
InChIKeyUYAWVSUNJVRHFN-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.04
Rot. Bonds6

About 4,6,7-trimethoxy-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide

4,6,7-trimethoxy-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide (PubChem CID 56521176) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is 4,6,7-trimethoxy-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6,7-trimethoxy-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide
PubChem CID56521176
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC Name4,6,7-trimethoxy-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)Nc3ccc(C)c(-n4nnnc4C)c3)[nH]c2c1OC
InChIInChI=1S/C21H22N6O4/c1-11-6-7-13(8-16(11)27-12(2)24-25-26-27)22-21(28)15-9-14-17(29-3)10-18(30-4)20(31-5)19(14)23-15/h6-10,23H,1-5H3,(H,22,28)
InChIKeyUYAWVSUNJVRHFN-UHFFFAOYSA-N
XLogP3.04
TPSA116.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide
CID 55847127
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39898700
N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39877251
(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 119313707
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 56514408
4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56586278
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 119313715
2-[(3-bromobenzoyl)amino]-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 167957621
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 56574355
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 134813277
4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122078811
N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 46445811

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethoxy-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6,7-trimethoxy-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide (CID 56521176) is 4,6,7-trimethoxy-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6,7-trimethoxy-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6,7-trimethoxy-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide is COc1cc(OC)c2cc(C(=O)Nc3ccc(C)c(-n4nnnc4C)c3)[nH]c2c1OC.
What is the InChIKey of 4,6,7-trimethoxy-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is UYAWVSUNJVRHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O4/c1-11-6-7-13(8-16(11)27-12(2)24-25-26-27)22-21(28)15-9-14-17(29-3)10-18(30-4)20(31-5)19(14)23-15/h6-10,23H,1-5H3,(H,22,28).
What are the key properties of 4,6,7-trimethoxy-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide?
4,6,7-trimethoxy-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethoxy-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 56521176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).