2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide

C22H24N4O2 — CID 87005326

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)COc3ccc4c(c3)CCC4)cn2)n1
InChIInChI=1S/C22H24N4O2/c1-15-10-16(2)26(25-15)21-9-6-17(12-23-21)13-24-22(27)14-28-20-8-7-18-4-3-5-19(18)11-20/h6-12H,3-5,13-14H2,1-2H3,(H,24,27)
InChIKeyGUWFHSZBVPVTTD-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.07
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 87005326) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide
PubChem CID87005326
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)COc3ccc4c(c3)CCC4)cn2)n1
InChIInChI=1S/C22H24N4O2/c1-15-10-16(2)26(25-15)21-9-6-17(12-23-21)13-24-22(27)14-28-20-8-7-18-4-3-5-19(18)11-20/h6-12H,3-5,13-14H2,1-2H3,(H,24,27)
InChIKeyGUWFHSZBVPVTTD-UHFFFAOYSA-N
XLogP3.07
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-phenoxyacetamide
CID 94097198
N-[(4-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100539829
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78890715
1-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848586
1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea
CID 51084393
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 51120474
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 94097221
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-phenoxyacetamide
CID 110780371
N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 26655876
2-(4-chloro-3-methylphenoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745410
3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120549365
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128779

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide (CID 87005326) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide is Cc1cc(C)n(-c2ccc(CNC(=O)COc3ccc4c(c3)CCC4)cn2)n1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is GUWFHSZBVPVTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-10-16(2)26(25-15)21-9-6-17(12-23-21)13-24-22(27)14-28-20-8-7-18-4-3-5-19(18)11-20/h6-12H,3-5,13-14H2,1-2H3,(H,24,27).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 87005326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).