2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide

C23H27FN4O2 — CID 78154014

IUPAC2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(ccn2CCNC(=O)CC2C(C)NNC2c2ccc(F)cc2)c1
InChIInChI=1S/C23H27FN4O2/c1-15-20(23(27-26-15)16-3-5-18(24)6-4-16)14-22(29)25-10-12-28-11-9-17-13-19(30-2)7-8-21(17)28/h3-9,11,13,15,20,23,26-27H,10,12,14H2,1-2H3,(H,25,29)
InChIKeyADACMNPMKNXOCZ-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.15
Rot. Bonds7

About 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide

2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide (PubChem CID 78154014) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide
PubChem CID78154014
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(ccn2CCNC(=O)CC2C(C)NNC2c2ccc(F)cc2)c1
InChIInChI=1S/C23H27FN4O2/c1-15-20(23(27-26-15)16-3-5-18(24)6-4-16)14-22(29)25-10-12-28-11-9-17-13-19(30-2)7-8-21(17)28/h3-9,11,13,15,20,23,26-27H,10,12,14H2,1-2H3,(H,25,29)
InChIKeyADACMNPMKNXOCZ-UHFFFAOYSA-N
XLogP3.15
TPSA67.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-chlorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide
CID 134125983
N-[2-(5-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 91637888
N-[2-(6-fluoroindol-1-yl)ethyl]-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124906565
2-(3-acetylindol-1-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide
CID 56763655
N-cyclopropyl-3-(5-methoxyindol-1-yl)propanamide
CID 116619419
3-(5-methoxyindol-1-yl)propanamide
CID 116619447
N-[2-(5-methoxyindol-1-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 110205717
6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082
N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine
CID 62564592
2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide
CID 115582181
2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 63850800
N-tert-butyl-2-(5-methoxyindol-1-yl)acetamide
CID 115582184

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide (CID 78154014) is 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide is COc1ccc2c(ccn2CCNC(=O)CC2C(C)NNC2c2ccc(F)cc2)c1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide?
The InChIKey is ADACMNPMKNXOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-15-20(23(27-26-15)16-3-5-18(24)6-4-16)14-22(29)25-10-12-28-11-9-17-13-19(30-2)7-8-21(17)28/h3-9,11,13,15,20,23,26-27H,10,12,14H2,1-2H3,(H,25,29).
What are the key properties of 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide?
2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide has a molecular weight of 410.49 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-5-methylpyrazolidin-4-yl]-N-[2-(5-methoxyindol-1-yl)ethyl]acetamide is sourced from PubChem (CID 78154014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).