2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide

C23H27N5O2 — CID 45244211

IUPAC2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
SMILESCc1c(CC(=O)NC(C)Cn2cncn2)c2c(n1Cc1ccccc1)CCCC2=O
InChIInChI=1S/C23H27N5O2/c1-16(12-27-15-24-14-25-27)26-22(30)11-19-17(2)28(13-18-7-4-3-5-8-18)20-9-6-10-21(29)23(19)20/h3-5,7-8,14-16H,6,9-13H2,1-2H3,(H,26,30)
InChIKeyPJRFDHJJAGZXRV-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.70
Rot. Bonds7

About 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide

2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide (PubChem CID 45244211) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
PubChem CID45244211
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
SMILESCc1c(CC(=O)NC(C)Cn2cncn2)c2c(n1Cc1ccccc1)CCCC2=O
InChIInChI=1S/C23H27N5O2/c1-16(12-27-15-24-14-25-27)26-22(30)11-19-17(2)28(13-18-7-4-3-5-8-18)20-9-6-10-21(29)23(19)20/h3-5,7-8,14-16H,6,9-13H2,1-2H3,(H,26,30)
InChIKeyPJRFDHJJAGZXRV-UHFFFAOYSA-N
XLogP2.70
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 25292460
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 42150870
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 45194016
N-(2-amino-2-oxoethyl)-2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)acetamide
CID 45213080
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide
CID 25377422
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-oxopyrrolidin-3-yl)acetamide
CID 72872463
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(pyrimidin-4-ylmethyl)acetamide
CID 25459925
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-(2-methoxyethyl)-N-methylacetamide
CID 26394326
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1-benzyl-2-methyl-6,7-dihydro-5H-indol-4-one;hydrochloride
CID 154900219
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 45173157
1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one
CID 42190267
3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 90651126

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide (CID 45244211) is 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide is Cc1c(CC(=O)NC(C)Cn2cncn2)c2c(n1Cc1ccccc1)CCCC2=O.
What is the InChIKey of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The InChIKey is PJRFDHJJAGZXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16(12-27-15-24-14-25-27)26-22(30)11-19-17(2)28(13-18-7-4-3-5-8-18)20-9-6-10-21(29)23(19)20/h3-5,7-8,14-16H,6,9-13H2,1-2H3,(H,26,30).
What are the key properties of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 45244211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).