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

C24H20F3N5O2 — CID 59394436

IUPAC2-methyl-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESCc1cc2cc(Oc3ncnc4c3CCNC4)ccc2n1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F3N5O2/c1-14-9-15-10-18(34-22-19-7-8-28-12-20(19)29-13-30-22)5-6-21(15)32(14)23(33)31-17-4-2-3-16(11-17)24(25,26)27/h2-6,9-11,13,28H,7-8,12H2,1H3,(H,31,33)
InChIKeyVIOLGGNXLJIOMZ-UHFFFAOYSA-N
MW467.45 g/mol
LogP5.28
Rot. Bonds3

About 2-methyl-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

2-methyl-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (PubChem CID 59394436) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is 2-methyl-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.

Molecular Properties

Compound Name2-methyl-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
PubChem CID59394436
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC Name2-methyl-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESCc1cc2cc(Oc3ncnc4c3CCNC4)ccc2n1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F3N5O2/c1-14-9-15-10-18(34-22-19-7-8-28-12-20(19)29-13-30-22)5-6-21(15)32(14)23(33)31-17-4-2-3-16(11-17)24(25,26)27/h2-6,9-11,13,28H,7-8,12H2,1H3,(H,31,33)
InChIKeyVIOLGGNXLJIOMZ-UHFFFAOYSA-N
XLogP5.28
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.45
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The IUPAC name of 2-methyl-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (CID 59394436) is 2-methyl-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.
What is the SMILES notation for 2-methyl-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The canonical SMILES for 2-methyl-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is Cc1cc2cc(Oc3ncnc4c3CCNC4)ccc2n1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The InChIKey is VIOLGGNXLJIOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c1-14-9-15-10-18(34-22-19-7-8-28-12-20(19)29-13-30-22)5-6-21(15)32(14)23(33)31-17-4-2-3-16(11-17)24(25,26)27/h2-6,9-11,13,28H,7-8,12H2,1H3,(H,31,33).
What are the key properties of 2-methyl-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?
2-methyl-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide has a molecular weight of 467.45 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is sourced from PubChem (CID 59394436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).