2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide

C22H26N4O2 — CID 91843020

IUPAC2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
SMILESCCCC(=O)c1cn(CC(=O)N(C)Cc2n[nH]c3c2CCC3)c2ccccc12
InChIInChI=1S/C22H26N4O2/c1-3-7-21(27)17-12-26(20-11-5-4-8-15(17)20)14-22(28)25(2)13-19-16-9-6-10-18(16)23-24-19/h4-5,8,11-12H,3,6-7,9-10,13-14H2,1-2H3,(H,23,24)
InChIKeyLUKNYJBNXIBRRE-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.49
Rot. Bonds7

About 2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide

2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide (PubChem CID 91843020) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
PubChem CID91843020
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
SMILESCCCC(=O)c1cn(CC(=O)N(C)Cc2n[nH]c3c2CCC3)c2ccccc12
InChIInChI=1S/C22H26N4O2/c1-3-7-21(27)17-12-26(20-11-5-4-8-15(17)20)14-22(28)25(2)13-19-16-9-6-10-18(16)23-24-19/h4-5,8,11-12H,3,6-7,9-10,13-14H2,1-2H3,(H,23,24)
InChIKeyLUKNYJBNXIBRRE-UHFFFAOYSA-N
XLogP3.49
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide with MolForge

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Related Compounds

N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91786408
ethyl 2-(3-butanoylindol-1-yl)acetate
CID 4517747
N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91836006
1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid
CID 43309799
N'-methyl-N-(2-propan-2-ylphenyl)-N'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butanediamide
CID 46987826
1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one
CID 124549553
1-[1-[2-oxo-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]ethyl]indol-3-yl]butan-1-one
CID 119067475
4-(azepan-1-ylmethyl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)benzamide
CID 135090165
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one
CID 50958802
N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(3-butanoylindol-1-yl)acetamide
CID 126434146
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
CID 70717359
N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride
CID 154903804

Frequently Asked Questions

What is the IUPAC name of 2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide (CID 91843020) is 2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide is CCCC(=O)c1cn(CC(=O)N(C)Cc2n[nH]c3c2CCC3)c2ccccc12.
What is the InChIKey of 2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The InChIKey is LUKNYJBNXIBRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-7-21(27)17-12-26(20-11-5-4-8-15(17)20)14-22(28)25(2)13-19-16-9-6-10-18(16)23-24-19/h4-5,8,11-12H,3,6-7,9-10,13-14H2,1-2H3,(H,23,24).
What are the key properties of 2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide is sourced from PubChem (CID 91843020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).