5-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

C23H18F3N5O2 — CID 59394733

IUPAC5-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)n1ccc2cc(Oc3ncnc4c3CNCC4)ccc21
InChIInChI=1S/C23H18F3N5O2/c24-23(25,26)15-2-1-3-16(11-15)30-22(32)31-9-7-14-10-17(4-5-20(14)31)33-21-18-12-27-8-6-19(18)28-13-29-21/h1-5,7,9-11,13,27H,6,8,12H2,(H,30,32)
InChIKeyHUJREQGDGGDHRC-UHFFFAOYSA-N
MW453.42 g/mol
LogP4.97
Rot. Bonds3

About 5-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

5-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (PubChem CID 59394733) has the molecular formula C23H18F3N5O2 and a molecular weight of 453.42 g/mol. Its IUPAC name is 5-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.

Molecular Properties

Compound Name5-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
PubChem CID59394733
Molecular FormulaC23H18F3N5O2
Molecular Weight453.42 g/mol
Exact Mass453.14
IUPAC Name5-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)n1ccc2cc(Oc3ncnc4c3CNCC4)ccc21
InChIInChI=1S/C23H18F3N5O2/c24-23(25,26)15-2-1-3-16(11-15)30-22(32)31-9-7-14-10-17(4-5-20(14)31)33-21-18-12-27-8-6-19(18)28-13-29-21/h1-5,7,9-11,13,27H,6,8,12H2,(H,30,32)
InChIKeyHUJREQGDGGDHRC-UHFFFAOYSA-N
XLogP4.97
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The IUPAC name of 5-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (CID 59394733) is 5-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.
What is the SMILES notation for 5-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The canonical SMILES for 5-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)n1ccc2cc(Oc3ncnc4c3CNCC4)ccc21.
What is the InChIKey of 5-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The InChIKey is HUJREQGDGGDHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O2/c24-23(25,26)15-2-1-3-16(11-15)30-22(32)31-9-7-14-10-17(4-5-20(14)31)33-21-18-12-27-8-6-19(18)28-13-29-21/h1-5,7,9-11,13,27H,6,8,12H2,(H,30,32).
What are the key properties of 5-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
5-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide has a molecular weight of 453.42 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is sourced from PubChem (CID 59394733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).