5-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

C22H15F3N4O2S — CID 59394425

IUPAC5-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)n1ccc2cc(Oc3ncnc4c3CSC4)ccc21
InChIInChI=1S/C22H15F3N4O2S/c23-22(24,25)14-2-1-3-15(9-14)28-21(30)29-7-6-13-8-16(4-5-19(13)29)31-20-17-10-32-11-18(17)26-12-27-20/h1-9,12H,10-11H2,(H,28,30)
InChIKeySBRYGZQCYTWKIU-UHFFFAOYSA-N
MW456.45 g/mol
LogP6.07
Rot. Bonds3

About 5-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

5-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (PubChem CID 59394425) has the molecular formula C22H15F3N4O2S and a molecular weight of 456.45 g/mol. Its IUPAC name is 5-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.

Molecular Properties

Compound Name5-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
PubChem CID59394425
Molecular FormulaC22H15F3N4O2S
Molecular Weight456.45 g/mol
Exact Mass456.09
IUPAC Name5-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)n1ccc2cc(Oc3ncnc4c3CSC4)ccc21
InChIInChI=1S/C22H15F3N4O2S/c23-22(24,25)14-2-1-3-15(9-14)28-21(30)29-7-6-13-8-16(4-5-19(13)29)31-20-17-10-32-11-18(17)26-12-27-20/h1-9,12H,10-11H2,(H,28,30)
InChIKeySBRYGZQCYTWKIU-UHFFFAOYSA-N
XLogP6.07
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.45
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yloxy)-N-[2-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394461
5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394590
5-[(2-amino-4-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 70877308
5-[6-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394305
4-[1-[[3-(trifluoromethoxy)phenyl]carbamoyl]indol-5-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 152769281
1-[4-[1-[[3-(trifluoromethyl)phenyl]carbamoyl]indol-5-yl]oxy-2-pyridinyl]ethanesulfonic acid
CID 142709591
5-[[2-[(2-hydroxyethylamino)methyl]-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394192
N-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]-5-[(6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide
CID 59394545
5-[2-[2-(propan-2-ylamino)ethyl]pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394583
5-[6-[(2-methylsulfonylethylamino)methyl]pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394221
5-[6-[(3-carbamoylpyrrolidin-1-yl)methyl]pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394341
5-[6-[[acetyl(pyrrolidin-3-yl)amino]methyl]pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394774

Frequently Asked Questions

What is the IUPAC name of 5-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The IUPAC name of 5-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (CID 59394425) is 5-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.
What is the SMILES notation for 5-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The canonical SMILES for 5-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)n1ccc2cc(Oc3ncnc4c3CSC4)ccc21.
What is the InChIKey of 5-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The InChIKey is SBRYGZQCYTWKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O2S/c23-22(24,25)14-2-1-3-15(9-14)28-21(30)29-7-6-13-8-16(4-5-19(13)29)31-20-17-10-32-11-18(17)26-12-27-20/h1-9,12H,10-11H2,(H,28,30).
What are the key properties of 5-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
5-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide has a molecular weight of 456.45 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,7-dihydrothieno[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is sourced from PubChem (CID 59394425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).