1-methyl-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide

C23H22F3N3O2 — CID 167467792

IUPAC1-methyl-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2c[nH]c3ccc(OC4CC(c5ccc(C(F)(F)F)nc5)C4)cc23)CC1
InChIInChI=1S/C23H22F3N3O2/c1-22(6-7-22)21(30)29-19-12-27-18-4-3-15(10-17(18)19)31-16-8-14(9-16)13-2-5-20(28-11-13)23(24,25)26/h2-5,10-12,14,16,27H,6-9H2,1H3,(H,29,30)
InChIKeyUIMSAPWVWLUAFD-UHFFFAOYSA-N
MW429.44 g/mol
LogP5.65
Rot. Bonds5

About 1-methyl-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide

1-methyl-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide (PubChem CID 167467792) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 1-methyl-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide
PubChem CID167467792
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Name1-methyl-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2c[nH]c3ccc(OC4CC(c5ccc(C(F)(F)F)nc5)C4)cc23)CC1
InChIInChI=1S/C23H22F3N3O2/c1-22(6-7-22)21(30)29-19-12-27-18-4-3-15(10-17(18)19)31-16-8-14(9-16)13-2-5-20(28-11-13)23(24,25)26/h2-5,10-12,14,16,27H,6-9H2,1H3,(H,29,30)
InChIKeyUIMSAPWVWLUAFD-UHFFFAOYSA-N
XLogP5.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide (CID 167467792) is 1-methyl-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide is CC1(C(=O)Nc2c[nH]c3ccc(OC4CC(c5ccc(C(F)(F)F)nc5)C4)cc23)CC1.
What is the InChIKey of 1-methyl-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is UIMSAPWVWLUAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c1-22(6-7-22)21(30)29-19-12-27-18-4-3-15(10-17(18)19)31-16-8-14(9-16)13-2-5-20(28-11-13)23(24,25)26/h2-5,10-12,14,16,27H,6-9H2,1H3,(H,29,30).
What are the key properties of 1-methyl-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide?
1-methyl-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxy-1H-indol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167467792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).