5-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

C25H22F3N5O2 — CID 59394272

IUPAC5-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESCCN1CCc2ncnc(Oc3ccc4c(ccn4C(=O)Nc4cccc(C(F)(F)F)c4)c3)c2C1
InChIInChI=1S/C25H22F3N5O2/c1-2-32-10-9-21-20(14-32)23(30-15-29-21)35-19-6-7-22-16(12-19)8-11-33(22)24(34)31-18-5-3-4-17(13-18)25(26,27)28/h3-8,11-13,15H,2,9-10,14H2,1H3,(H,31,34)
InChIKeyPPCMXIPIBZOSAL-UHFFFAOYSA-N
MW481.48 g/mol
LogP5.70
Rot. Bonds4

About 5-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

5-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (PubChem CID 59394272) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is 5-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.

Molecular Properties

Compound Name5-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
PubChem CID59394272
Molecular FormulaC25H22F3N5O2
Molecular Weight481.48 g/mol
Exact Mass481.17
IUPAC Name5-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESCCN1CCc2ncnc(Oc3ccc4c(ccn4C(=O)Nc4cccc(C(F)(F)F)c4)c3)c2C1
InChIInChI=1S/C25H22F3N5O2/c1-2-32-10-9-21-20(14-32)23(30-15-29-21)35-19-6-7-22-16(12-19)8-11-33(22)24(34)31-18-5-3-4-17(13-18)25(26,27)28/h3-8,11-13,15H,2,9-10,14H2,1H3,(H,31,34)
InChIKeyPPCMXIPIBZOSAL-UHFFFAOYSA-N
XLogP5.70
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.48
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The IUPAC name of 5-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (CID 59394272) is 5-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.
What is the SMILES notation for 5-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The canonical SMILES for 5-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is CCN1CCc2ncnc(Oc3ccc4c(ccn4C(=O)Nc4cccc(C(F)(F)F)c4)c3)c2C1.
What is the InChIKey of 5-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The InChIKey is PPCMXIPIBZOSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2/c1-2-32-10-9-21-20(14-32)23(30-15-29-21)35-19-6-7-22-16(12-19)8-11-33(22)24(34)31-18-5-3-4-17(13-18)25(26,27)28/h3-8,11-13,15H,2,9-10,14H2,1H3,(H,31,34).
What are the key properties of 5-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
5-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide has a molecular weight of 481.48 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is sourced from PubChem (CID 59394272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).