N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide

C22H17N5O2S — CID 6416789

IUPACN-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide
SMILESCOc1ccc2c(c1)c1nnc(NC(=O)c3cccs3)nc1n2Cc1ccccc1
InChIInChI=1S/C22H17N5O2S/c1-29-15-9-10-17-16(12-15)19-20(27(17)13-14-6-3-2-4-7-14)23-22(26-25-19)24-21(28)18-8-5-11-30-18/h2-12H,13H2,1H3,(H,23,24,26,28)
InChIKeySWAJVODLSORFLH-UHFFFAOYSA-N
MW415.48 g/mol
LogP4.35
Rot. Bonds5

About N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide

N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide (PubChem CID 6416789) has the molecular formula C22H17N5O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide
PubChem CID6416789
Molecular FormulaC22H17N5O2S
Molecular Weight415.48 g/mol
Exact Mass415.11
IUPAC NameN-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide
SMILESCOc1ccc2c(c1)c1nnc(NC(=O)c3cccs3)nc1n2Cc1ccccc1
InChIInChI=1S/C22H17N5O2S/c1-29-15-9-10-17-16(12-15)19-20(27(17)13-14-6-3-2-4-7-14)23-22(26-25-19)24-21(28)18-8-5-11-30-18/h2-12H,13H2,1H3,(H,23,24,26,28)
InChIKeySWAJVODLSORFLH-UHFFFAOYSA-N
XLogP4.35
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide with MolForge

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Related Compounds

N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417136
N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide
CID 6417013
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973758
N-(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-methoxybenzamide
CID 6417161
2-[1-benzyl-5-methoxy-2-(4-methoxyphenyl)indol-3-yl]acetic acid
CID 67748943
4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 1455010
N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982069
9-benzyl-6-methoxy-3-methylpyrimido[4,5-b]indol-4-one
CID 23857129
[4-[(8-methoxypyrido[3,2-b]indol-5-yl)methyl]phenyl]-phenoxyphosphinic acid
CID 170621255
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518535
N-(4-methoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999156

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide (CID 6416789) is N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide is COc1ccc2c(c1)c1nnc(NC(=O)c3cccs3)nc1n2Cc1ccccc1.
What is the InChIKey of N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide?
The InChIKey is SWAJVODLSORFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2S/c1-29-15-9-10-17-16(12-15)19-20(27(17)13-14-6-3-2-4-7-14)23-22(26-25-19)24-21(28)18-8-5-11-30-18/h2-12H,13H2,1H3,(H,23,24,26,28).
What are the key properties of N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide?
N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 6416789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).