4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid

C24H31F3N4O4 — CID 155833248

IUPAC4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)n1c(C(=O)NCCCN2CCOCC2)cc2c1c1ccccc1n2C.O=C(O)C(F)(F)F
InChIInChI=1S/C22H30N4O2.C2HF3O2/c1-16(2)26-20(22(27)23-9-6-10-25-11-13-28-14-12-25)15-19-21(26)17-7-4-5-8-18(17)24(19)3;3-2(4,5)1(6)7/h4-5,7-8,15-16H,6,9-14H2,1-3H3,(H,23,27);(H,6,7)
InChIKeyPOUKCPXTOTXQTH-UHFFFAOYSA-N
MW496.53 g/mol
LogP3.80
Rot. Bonds6

About 4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid

4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155833248) has the molecular formula C24H31F3N4O4 and a molecular weight of 496.53 g/mol. Its IUPAC name is 4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155833248
Molecular FormulaC24H31F3N4O4
Molecular Weight496.53 g/mol
Exact Mass496.23
IUPAC Name4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)n1c(C(=O)NCCCN2CCOCC2)cc2c1c1ccccc1n2C.O=C(O)C(F)(F)F
InChIInChI=1S/C22H30N4O2.C2HF3O2/c1-16(2)26-20(22(27)23-9-6-10-25-11-13-28-14-12-25)15-19-21(26)17-7-4-5-8-18(17)24(19)3;3-2(4,5)1(6)7/h4-5,7-8,15-16H,6,9-14H2,1-3H3,(H,23,27);(H,6,7)
InChIKeyPOUKCPXTOTXQTH-UHFFFAOYSA-N
XLogP3.80
TPSA88.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155838455
N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44602326
N-[2-(dimethylamino)ethyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155855918
N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide
CID 71701659
1-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155838473
N-butyl-5-methyl-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 66892596
4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361473
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
N-(3-hydroxyphenyl)-4-methyl-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441819
1,4-dimethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110849661
3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155831030
(4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155829058

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155833248) is 4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid is CC(C)n1c(C(=O)NCCCN2CCOCC2)cc2c1c1ccccc1n2C.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is POUKCPXTOTXQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2.C2HF3O2/c1-16(2)26-20(22(27)23-9-6-10-25-11-13-28-14-12-25)15-19-21(26)17-7-4-5-8-18(17)24(19)3;3-2(4,5)1(6)7/h4-5,7-8,15-16H,6,9-14H2,1-3H3,(H,23,27);(H,6,7).
What are the key properties of 4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid?
4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 496.53 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155833248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).