N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid

C23H31F3N4O4 — CID 155846697

IUPACN-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCCn1c(C(=O)NCCN(C)C)cc2c1c1ccccc1n2C(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C21H30N4O2.C2HF3O2/c1-15(2)25-17-9-7-6-8-16(17)20-18(25)14-19(24(20)12-13-27-5)21(26)22-10-11-23(3)4;3-2(4,5)1(6)7/h6-9,14-15H,10-13H2,1-5H3,(H,22,26);(H,6,7)
InChIKeyASQKWWMYDVBDDI-UHFFFAOYSA-N
MW484.52 g/mol
LogP3.75
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid

N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155846697) has the molecular formula C23H31F3N4O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155846697
Molecular FormulaC23H31F3N4O4
Molecular Weight484.52 g/mol
Exact Mass484.23
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCCn1c(C(=O)NCCN(C)C)cc2c1c1ccccc1n2C(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C21H30N4O2.C2HF3O2/c1-15(2)25-17-9-7-6-8-16(17)20-18(25)14-19(24(20)12-13-27-5)21(26)22-10-11-23(3)4;3-2(4,5)1(6)7/h6-9,14-15H,10-13H2,1-5H3,(H,22,26);(H,6,7)
InChIKeyASQKWWMYDVBDDI-UHFFFAOYSA-N
XLogP3.75
TPSA88.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155846697) is N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid is COCCn1c(C(=O)NCCN(C)C)cc2c1c1ccccc1n2C(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ASQKWWMYDVBDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2.C2HF3O2/c1-15(2)25-17-9-7-6-8-16(17)20-18(25)14-19(24(20)12-13-27-5)21(26)22-10-11-23(3)4;3-2(4,5)1(6)7/h6-9,14-15H,10-13H2,1-5H3,(H,22,26);(H,6,7).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 484.52 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155846697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).