N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide

C23H17F3N8O3 — CID 59394558

IUPACN-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
SMILESCOc1cc(NC(=O)n2ccc3cc(Oc4cc(Cn5cnnn5)ncn4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N8O3/c1-36-19-8-15(23(24,25)26)7-16(9-19)30-22(35)34-5-4-14-6-18(2-3-20(14)34)37-21-10-17(27-12-28-21)11-33-13-29-31-32-33/h2-10,12-13H,11H2,1H3,(H,30,35)
InChIKeyHKYNMWGFKLTGDT-UHFFFAOYSA-N
MW510.44 g/mol
LogP4.37
Rot. Bonds6

About N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide

N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide (PubChem CID 59394558) has the molecular formula C23H17F3N8O3 and a molecular weight of 510.44 g/mol. Its IUPAC name is N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
PubChem CID59394558
Molecular FormulaC23H17F3N8O3
Molecular Weight510.44 g/mol
Exact Mass510.14
IUPAC NameN-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
SMILESCOc1cc(NC(=O)n2ccc3cc(Oc4cc(Cn5cnnn5)ncn4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N8O3/c1-36-19-8-15(23(24,25)26)7-16(9-19)30-22(35)34-5-4-14-6-18(2-3-20(14)34)37-21-10-17(27-12-28-21)11-33-13-29-31-32-33/h2-10,12-13H,11H2,1H3,(H,30,35)
InChIKeyHKYNMWGFKLTGDT-UHFFFAOYSA-N
XLogP4.37
TPSA121.87 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The IUPAC name of N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide (CID 59394558) is N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide.
What is the SMILES notation for N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The canonical SMILES for N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide is COc1cc(NC(=O)n2ccc3cc(Oc4cc(Cn5cnnn5)ncn4)ccc32)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
The InChIKey is HKYNMWGFKLTGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N8O3/c1-36-19-8-15(23(24,25)26)7-16(9-19)30-22(35)34-5-4-14-6-18(2-3-20(14)34)37-21-10-17(27-12-28-21)11-33-13-29-31-32-33/h2-10,12-13H,11H2,1H3,(H,30,35).
What are the key properties of N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide?
N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide has a molecular weight of 510.44 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[6-(tetrazol-1-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide is sourced from PubChem (CID 59394558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).