1-[[2-[4-(trifluoromethyl)-2-pyridinyl]-1H-indol-5-yl]methyl]cyclopropane-1-carboxylic acid

C19H15F3N2O2 — CID 172609091

IUPAC1-[[2-[4-(trifluoromethyl)-2-pyridinyl]-1H-indol-5-yl]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc3[nH]c(-c4cc(C(F)(F)F)ccn4)cc3c2)CC1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)13-3-6-23-15(9-13)16-8-12-7-11(1-2-14(12)24-16)10-18(4-5-18)17(25)26/h1-3,6-9,24H,4-5,10H2,(H,25,26)
InChIKeyBTXNJGXJAQHCEU-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.66
Rot. Bonds4

About 1-[[2-[4-(trifluoromethyl)-2-pyridinyl]-1H-indol-5-yl]methyl]cyclopropane-1-carboxylic acid

1-[[2-[4-(trifluoromethyl)-2-pyridinyl]-1H-indol-5-yl]methyl]cyclopropane-1-carboxylic acid (PubChem CID 172609091) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 1-[[2-[4-(trifluoromethyl)-2-pyridinyl]-1H-indol-5-yl]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[4-(trifluoromethyl)-2-pyridinyl]-1H-indol-5-yl]methyl]cyclopropane-1-carboxylic acid
PubChem CID172609091
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name1-[[2-[4-(trifluoromethyl)-2-pyridinyl]-1H-indol-5-yl]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc3[nH]c(-c4cc(C(F)(F)F)ccn4)cc3c2)CC1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)13-3-6-23-15(9-13)16-8-12-7-11(1-2-14(12)24-16)10-18(4-5-18)17(25)26/h1-3,6-9,24H,4-5,10H2,(H,25,26)
InChIKeyBTXNJGXJAQHCEU-UHFFFAOYSA-N
XLogP4.66
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[4-(trifluoromethyl)-2-pyridinyl]-1H-indol-5-yl]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-[4-(trifluoromethyl)-2-pyridinyl]-1H-indol-5-yl]methyl]cyclopropane-1-carboxylic acid (CID 172609091) is 1-[[2-[4-(trifluoromethyl)-2-pyridinyl]-1H-indol-5-yl]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[4-(trifluoromethyl)-2-pyridinyl]-1H-indol-5-yl]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[4-(trifluoromethyl)-2-pyridinyl]-1H-indol-5-yl]methyl]cyclopropane-1-carboxylic acid is O=C(O)C1(Cc2ccc3[nH]c(-c4cc(C(F)(F)F)ccn4)cc3c2)CC1.
What is the InChIKey of 1-[[2-[4-(trifluoromethyl)-2-pyridinyl]-1H-indol-5-yl]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is BTXNJGXJAQHCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c20-19(21,22)13-3-6-23-15(9-13)16-8-12-7-11(1-2-14(12)24-16)10-18(4-5-18)17(25)26/h1-3,6-9,24H,4-5,10H2,(H,25,26).
What are the key properties of 1-[[2-[4-(trifluoromethyl)-2-pyridinyl]-1H-indol-5-yl]methyl]cyclopropane-1-carboxylic acid?
1-[[2-[4-(trifluoromethyl)-2-pyridinyl]-1H-indol-5-yl]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 360.34 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[4-(trifluoromethyl)-2-pyridinyl]-1H-indol-5-yl]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 172609091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).