N-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

C21H24N6O — CID 656066

IUPACN-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
SMILESCc1cc(N2CCCC(C(=O)Nc3ccc4c(c3)CCC4)C2)n2ncnc2n1
InChIInChI=1S/C21H24N6O/c1-14-10-19(27-21(24-14)22-13-23-27)26-9-3-6-17(12-26)20(28)25-18-8-7-15-4-2-5-16(15)11-18/h7-8,10-11,13,17H,2-6,9,12H2,1H3,(H,25,28)
InChIKeyYHMXMNNTXGBMIH-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.78
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (PubChem CID 656066) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
PubChem CID656066
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
SMILESCc1cc(N2CCCC(C(=O)Nc3ccc4c(c3)CCC4)C2)n2ncnc2n1
InChIInChI=1S/C21H24N6O/c1-14-10-19(27-21(24-14)22-13-23-27)26-9-3-6-17(12-26)20(28)25-18-8-7-15-4-2-5-16(15)11-18/h7-8,10-11,13,17H,2-6,9,12H2,1H3,(H,25,28)
InChIKeyYHMXMNNTXGBMIH-UHFFFAOYSA-N
XLogP2.78
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (CID 656066) is N-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is Cc1cc(N2CCCC(C(=O)Nc3ccc4c(c3)CCC4)C2)n2ncnc2n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The InChIKey is YHMXMNNTXGBMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-14-10-19(27-21(24-14)22-13-23-27)26-9-3-6-17(12-26)20(28)25-18-8-7-15-4-2-5-16(15)11-18/h7-8,10-11,13,17H,2-6,9,12H2,1H3,(H,25,28).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.78, 3 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-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 656066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).