N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide

C22H24N6O3 — CID 125126674

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide
SMILESCc1cn2nnc(C(=O)N3CCC(C(=O)N[C@H]4CCc5ccccc54)CC3)c2c(=O)[nH]1
InChIInChI=1S/C22H24N6O3/c1-13-12-28-19(21(30)23-13)18(25-26-28)22(31)27-10-8-15(9-11-27)20(29)24-17-7-6-14-4-2-3-5-16(14)17/h2-5,12,15,17H,6-11H2,1H3,(H,23,30)(H,24,29)/t17-/m0/s1
InChIKeyHWBJIXWUTBBFKG-KRWDZBQOSA-N
MW420.47 g/mol
LogP1.38
Rot. Bonds3

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 125126674) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide
PubChem CID125126674
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide
SMILESCc1cn2nnc(C(=O)N3CCC(C(=O)N[C@H]4CCc5ccccc54)CC3)c2c(=O)[nH]1
InChIInChI=1S/C22H24N6O3/c1-13-12-28-19(21(30)23-13)18(25-26-28)22(31)27-10-8-15(9-11-27)20(29)24-17-7-6-14-4-2-3-5-16(14)17/h2-5,12,15,17H,6-11H2,1H3,(H,23,30)(H,24,29)/t17-/m0/s1
InChIKeyHWBJIXWUTBBFKG-KRWDZBQOSA-N
XLogP1.38
TPSA112.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide
CID 125129114
N-(2,3-dihydro-1H-inden-1-yl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 51273823
1-(4-methylbenzoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 131896030
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976369
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976368
1-(dimethylsulfamoyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 93487580
4-(1H-benzimidazol-2-ylamino)-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 70014718
1-ethylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 17435645
1-butanoyl-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-4-carboxamide
CID 95287998
N-(2,3-dihydro-1H-inden-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 134060258
6-(4-chlorophenyl)-3-(4-methylpiperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one
CID 91891452

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide (CID 125126674) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide is Cc1cn2nnc(C(=O)N3CCC(C(=O)N[C@H]4CCc5ccccc54)CC3)c2c(=O)[nH]1.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is HWBJIXWUTBBFKG-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-13-12-28-19(21(30)23-13)18(25-26-28)22(31)27-10-8-15(9-11-27)20(29)24-17-7-6-14-4-2-3-5-16(14)17/h2-5,12,15,17H,6-11H2,1H3,(H,23,30)(H,24,29)/t17-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 125126674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).