N-[2-[(6,7-dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide

C32H28F3N3O4 — CID 127038749

IUPACN-[2-[(6,7-dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide
SMILESCc1cc2occ(C(=O)N(C)CCN(C)C(=O)c3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2cc1C
InChIInChI=1S/C32H28F3N3O4/c1-19-14-24-28(15-20(19)2)42-18-26(29(24)39)31(41)37(4)13-12-36(3)30(40)25-17-38(27-11-6-5-10-23(25)27)22-9-7-8-21(16-22)32(33,34)35/h5-11,14-18H,12-13H2,1-4H3
InChIKeyGCSJTQBVIRYUBN-UHFFFAOYSA-N
MW575.59 g/mol
LogP6.22
Rot. Bonds6

About N-[2-[(6,7-dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide

N-[2-[(6,7-dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide (PubChem CID 127038749) has the molecular formula C32H28F3N3O4 and a molecular weight of 575.59 g/mol. Its IUPAC name is N-[2-[(6,7-dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(6,7-dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide
PubChem CID127038749
Molecular FormulaC32H28F3N3O4
Molecular Weight575.59 g/mol
Exact Mass575.20
IUPAC NameN-[2-[(6,7-dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide
SMILESCc1cc2occ(C(=O)N(C)CCN(C)C(=O)c3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2cc1C
InChIInChI=1S/C32H28F3N3O4/c1-19-14-24-28(15-20(19)2)42-18-26(29(24)39)31(41)37(4)13-12-36(3)30(40)25-17-38(27-11-6-5-10-23(25)27)22-9-7-8-21(16-22)32(33,34)35/h5-11,14-18H,12-13H2,1-4H3
InChIKeyGCSJTQBVIRYUBN-UHFFFAOYSA-N
XLogP6.22
TPSA75.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.59
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-[(6,7-dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6,7-dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide?
The IUPAC name of N-[2-[(6,7-dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide (CID 127038749) is N-[2-[(6,7-dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide.
What is the SMILES notation for N-[2-[(6,7-dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide?
The canonical SMILES for N-[2-[(6,7-dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide is Cc1cc2occ(C(=O)N(C)CCN(C)C(=O)c3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2cc1C.
What is the InChIKey of N-[2-[(6,7-dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide?
The InChIKey is GCSJTQBVIRYUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F3N3O4/c1-19-14-24-28(15-20(19)2)42-18-26(29(24)39)31(41)37(4)13-12-36(3)30(40)25-17-38(27-11-6-5-10-23(25)27)22-9-7-8-21(16-22)32(33,34)35/h5-11,14-18H,12-13H2,1-4H3.
What are the key properties of N-[2-[(6,7-dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide?
N-[2-[(6,7-dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide has a molecular weight of 575.59 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6,7-dimethyl-4-oxochromene-3-carbonyl)-methylamino]ethyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide is sourced from PubChem (CID 127038749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).