[2-[1-(1-methylpyrazol-4-yl)indol-4-yl]oxy-6-(trifluoromethyl)-4-pyridinyl]methanamine

C19H16F3N5O — CID 122516844

IUPAC[2-[1-(1-methylpyrazol-4-yl)indol-4-yl]oxy-6-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESCn1cc(-n2ccc3c(Oc4cc(CN)cc(C(F)(F)F)n4)cccc32)cn1
InChIInChI=1S/C19H16F3N5O/c1-26-11-13(10-24-26)27-6-5-14-15(27)3-2-4-16(14)28-18-8-12(9-23)7-17(25-18)19(20,21)22/h2-8,10-11H,9,23H2,1H3
InChIKeyGXFIJNNOECYQOJ-UHFFFAOYSA-N
MW387.37 g/mol
LogP4.03
Rot. Bonds4

About [2-[1-(1-methylpyrazol-4-yl)indol-4-yl]oxy-6-(trifluoromethyl)-4-pyridinyl]methanamine

[2-[1-(1-methylpyrazol-4-yl)indol-4-yl]oxy-6-(trifluoromethyl)-4-pyridinyl]methanamine (PubChem CID 122516844) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is [2-[1-(1-methylpyrazol-4-yl)indol-4-yl]oxy-6-(trifluoromethyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[1-(1-methylpyrazol-4-yl)indol-4-yl]oxy-6-(trifluoromethyl)-4-pyridinyl]methanamine
PubChem CID122516844
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC Name[2-[1-(1-methylpyrazol-4-yl)indol-4-yl]oxy-6-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESCn1cc(-n2ccc3c(Oc4cc(CN)cc(C(F)(F)F)n4)cccc32)cn1
InChIInChI=1S/C19H16F3N5O/c1-26-11-13(10-24-26)27-6-5-14-15(27)3-2-4-16(14)28-18-8-12(9-23)7-17(25-18)19(20,21)22/h2-8,10-11H,9,23H2,1H3
InChIKeyGXFIJNNOECYQOJ-UHFFFAOYSA-N
XLogP4.03
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(1-methylpyrazol-4-yl)indol-4-yl]oxy-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The IUPAC name of [2-[1-(1-methylpyrazol-4-yl)indol-4-yl]oxy-6-(trifluoromethyl)-4-pyridinyl]methanamine (CID 122516844) is [2-[1-(1-methylpyrazol-4-yl)indol-4-yl]oxy-6-(trifluoromethyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[1-(1-methylpyrazol-4-yl)indol-4-yl]oxy-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-[1-(1-methylpyrazol-4-yl)indol-4-yl]oxy-6-(trifluoromethyl)-4-pyridinyl]methanamine is Cn1cc(-n2ccc3c(Oc4cc(CN)cc(C(F)(F)F)n4)cccc32)cn1.
What is the InChIKey of [2-[1-(1-methylpyrazol-4-yl)indol-4-yl]oxy-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The InChIKey is GXFIJNNOECYQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c1-26-11-13(10-24-26)27-6-5-14-15(27)3-2-4-16(14)28-18-8-12(9-23)7-17(25-18)19(20,21)22/h2-8,10-11H,9,23H2,1H3.
What are the key properties of [2-[1-(1-methylpyrazol-4-yl)indol-4-yl]oxy-6-(trifluoromethyl)-4-pyridinyl]methanamine?
[2-[1-(1-methylpyrazol-4-yl)indol-4-yl]oxy-6-(trifluoromethyl)-4-pyridinyl]methanamine has a molecular weight of 387.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(1-methylpyrazol-4-yl)indol-4-yl]oxy-6-(trifluoromethyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 122516844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).