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

C22H22F3N3O3 — CID 57378930

IUPAC3-cyclopentyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpropanamide
SMILESO=C(Nc1ccccn1)C(CC1CCCC1)N1C(=O)Cc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C22H22F3N3O3/c23-22(24,25)31-16-8-9-17-15(12-16)13-20(29)28(17)18(11-14-5-1-2-6-14)21(30)27-19-7-3-4-10-26-19/h3-4,7-10,12,14,18H,1-2,5-6,11,13H2,(H,26,27,30)
InChIKeyGBFVQBBCNBYFQI-UHFFFAOYSA-N
MW433.43 g/mol
LogP4.46
Rot. Bonds6

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

3-cyclopentyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpropanamide (PubChem CID 57378930) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is 3-cyclopentyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpropanamide
PubChem CID57378930
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC Name3-cyclopentyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpropanamide
SMILESO=C(Nc1ccccn1)C(CC1CCCC1)N1C(=O)Cc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C22H22F3N3O3/c23-22(24,25)31-16-8-9-17-15(12-16)13-20(29)28(17)18(11-14-5-1-2-6-14)21(30)27-19-7-3-4-10-26-19/h3-4,7-10,12,14,18H,1-2,5-6,11,13H2,(H,26,27,30)
InChIKeyGBFVQBBCNBYFQI-UHFFFAOYSA-N
XLogP4.46
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-cyclopentyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpropanamide (CID 57378930) is 3-cyclopentyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-cyclopentyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-cyclopentyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpropanamide is O=C(Nc1ccccn1)C(CC1CCCC1)N1C(=O)Cc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 3-cyclopentyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is GBFVQBBCNBYFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c23-22(24,25)31-16-8-9-17-15(12-16)13-20(29)28(17)18(11-14-5-1-2-6-14)21(30)27-19-7-3-4-10-26-19/h3-4,7-10,12,14,18H,1-2,5-6,11,13H2,(H,26,27,30).
What are the key properties of 3-cyclopentyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpropanamide?
3-cyclopentyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 433.43 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 57378930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).