N-(2,3-dihydro-1H-inden-1-yl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide

C24H20F3N5O2 — CID 50927003

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
SMILESCc1cc2nn(CC(=O)NC3CCc4ccccc43)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C24H20F3N5O2/c1-14-12-20-30-31(13-21(33)29-19-11-8-15-4-2-3-5-18(15)19)23(34)32(20)22(28-14)16-6-9-17(10-7-16)24(25,26)27/h2-7,9-10,12,19H,8,11,13H2,1H3,(H,29,33)
InChIKeyGQOXLBGHZMGNAG-UHFFFAOYSA-N
MW467.45 g/mol
LogP3.69
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-1-yl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide

N-(2,3-dihydro-1H-inden-1-yl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide (PubChem CID 50927003) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
PubChem CID50927003
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
SMILESCc1cc2nn(CC(=O)NC3CCc4ccccc43)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C24H20F3N5O2/c1-14-12-20-30-31(13-21(33)29-19-11-8-15-4-2-3-5-18(15)19)23(34)32(20)22(28-14)16-6-9-17(10-7-16)24(25,26)27/h2-7,9-10,12,19H,8,11,13H2,1H3,(H,29,33)
InChIKeyGQOXLBGHZMGNAG-UHFFFAOYSA-N
XLogP3.69
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N-(3-phenylpropyl)acetamide
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CID 92900192
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
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CID 95185388
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CID 18131558
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2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
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CID 94491684

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide (CID 50927003) is N-(2,3-dihydro-1H-inden-1-yl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide is Cc1cc2nn(CC(=O)NC3CCc4ccccc43)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide?
The InChIKey is GQOXLBGHZMGNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c1-14-12-20-30-31(13-21(33)29-19-11-8-15-4-2-3-5-18(15)19)23(34)32(20)22(28-14)16-6-9-17(10-7-16)24(25,26)27/h2-7,9-10,12,19H,8,11,13H2,1H3,(H,29,33).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide has a molecular weight of 467.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-[7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 50927003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).