3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]propanamide

C21H23F3N4O3 — CID 67775740

IUPAC3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]propanamide
SMILESCn1ccc(NC(=O)C(CC2CCCC2)N2C(=O)Cc3cc(OC(F)(F)F)ccc32)n1
InChIInChI=1S/C21H23F3N4O3/c1-27-9-8-18(26-27)25-20(30)17(10-13-4-2-3-5-13)28-16-7-6-15(31-21(22,23)24)11-14(16)12-19(28)29/h6-9,11,13,17H,2-5,10,12H2,1H3,(H,25,26,30)
InChIKeyRCMWKHSASPGNJJ-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.80
Rot. Bonds6

About 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]propanamide

3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]propanamide (PubChem CID 67775740) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]propanamide
PubChem CID67775740
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC Name3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]propanamide
SMILESCn1ccc(NC(=O)C(CC2CCCC2)N2C(=O)Cc3cc(OC(F)(F)F)ccc32)n1
InChIInChI=1S/C21H23F3N4O3/c1-27-9-8-18(26-27)25-20(30)17(10-13-4-2-3-5-13)28-16-7-6-15(31-21(22,23)24)11-14(16)12-19(28)29/h6-9,11,13,17H,2-5,10,12H2,1H3,(H,25,26,30)
InChIKeyRCMWKHSASPGNJJ-UHFFFAOYSA-N
XLogP3.80
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 126740650
US20230348426, Example 648
CID 169319398
6-Amino-1'-methyl-2'-oxo-5'-(trifluoromethoxy)spiro[1,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile
CID 162648664
US20230348426, Example 661
CID 169318979
US20230348426, Example 649
CID 169319127
US20230348426, Example 662
CID 169319186
N-[1-(2,4-Difluorophenyl)-1H-pyrazol-3-YL]-2-(3-methoxyphenyl)acetamide
CID 46107886
6-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135965607
2-(3-methoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-3-yl]acetamide
CID 46171829
4-methyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpentanamide
CID 57377281
3-cyclopentyl-2-(2,3-dioxo-5-trifluoromethoxy-2,3-dihydro-indol-1-yl)-N-(1-methyl-1H-pyrazol-3-yl)-propionamide
CID 57378818
3-cyclopentyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpropanamide
CID 57378930

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]propanamide (CID 67775740) is 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]propanamide is Cn1ccc(NC(=O)C(CC2CCCC2)N2C(=O)Cc3cc(OC(F)(F)F)ccc32)n1.
What is the InChIKey of 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]propanamide?
The InChIKey is RCMWKHSASPGNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c1-27-9-8-18(26-27)25-20(30)17(10-13-4-2-3-5-13)28-16-7-6-15(31-21(22,23)24)11-14(16)12-19(28)29/h6-9,11,13,17H,2-5,10,12H2,1H3,(H,25,26,30).
What are the key properties of 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]propanamide?
3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]propanamide has a molecular weight of 436.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]propanamide is sourced from PubChem (CID 67775740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).