5-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

C20H14F3N5O2 — CID 67405002

IUPAC5-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESNc1cc(Oc2ccc3c(ccn3C(=O)Nc3cccc(C(F)(F)F)c3)c2)ncn1
InChIInChI=1S/C20H14F3N5O2/c21-20(22,23)13-2-1-3-14(9-13)27-19(29)28-7-6-12-8-15(4-5-16(12)28)30-18-10-17(24)25-11-26-18/h1-11H,(H,27,29)(H2,24,25,26)
InChIKeyNLJGYOWLAWTHSL-UHFFFAOYSA-N
MW413.36 g/mol
LogP4.90
Rot. Bonds3

About 5-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

5-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (PubChem CID 67405002) has the molecular formula C20H14F3N5O2 and a molecular weight of 413.36 g/mol. Its IUPAC name is 5-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.

Molecular Properties

Compound Name5-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
PubChem CID67405002
Molecular FormulaC20H14F3N5O2
Molecular Weight413.36 g/mol
Exact Mass413.11
IUPAC Name5-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESNc1cc(Oc2ccc3c(ccn3C(=O)Nc3cccc(C(F)(F)F)c3)c2)ncn1
InChIInChI=1S/C20H14F3N5O2/c21-20(22,23)13-2-1-3-14(9-13)27-19(29)28-7-6-12-8-15(4-5-16(12)28)30-18-10-17(24)25-11-26-18/h1-11H,(H,27,29)(H2,24,25,26)
InChIKeyNLJGYOWLAWTHSL-UHFFFAOYSA-N
XLogP4.90
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The IUPAC name of 5-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (CID 67405002) is 5-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.
What is the SMILES notation for 5-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The canonical SMILES for 5-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is Nc1cc(Oc2ccc3c(ccn3C(=O)Nc3cccc(C(F)(F)F)c3)c2)ncn1.
What is the InChIKey of 5-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The InChIKey is NLJGYOWLAWTHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O2/c21-20(22,23)13-2-1-3-14(9-13)27-19(29)28-7-6-12-8-15(4-5-16(12)28)30-18-10-17(24)25-11-26-18/h1-11H,(H,27,29)(H2,24,25,26).
What are the key properties of 5-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
5-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide has a molecular weight of 413.36 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is sourced from PubChem (CID 67405002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).