1,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid

C21H25F3N4O3 — CID 155838455

IUPAC1,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1c(C(=O)NCCN2CCCC2)cc2c1c1ccccc1n2C.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24N4O.C2HF3O2/c1-21-15-8-4-3-7-14(15)18-16(21)13-17(22(18)2)19(24)20-9-12-23-10-5-6-11-23;3-2(4,5)1(6)7/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,20,24);(H,6,7)
InChIKeyWOOOGEMPDQZVNY-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.13
Rot. Bonds4

About 1,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid

1,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155838455) has the molecular formula C21H25F3N4O3 and a molecular weight of 438.45 g/mol. Its IUPAC name is 1,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155838455
Molecular FormulaC21H25F3N4O3
Molecular Weight438.45 g/mol
Exact Mass438.19
IUPAC Name1,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1c(C(=O)NCCN2CCCC2)cc2c1c1ccccc1n2C.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24N4O.C2HF3O2/c1-21-15-8-4-3-7-14(15)18-16(21)13-17(22(18)2)19(24)20-9-12-23-10-5-6-11-23;3-2(4,5)1(6)7/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,20,24);(H,6,7)
InChIKeyWOOOGEMPDQZVNY-UHFFFAOYSA-N
XLogP3.13
TPSA79.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

4-(cyclopropylmethyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155851614
4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155833248
4-(cyclopropylmethyl)-1-pyrimidin-2-yl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155857389
N-[2-(dimethylamino)ethyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155855918
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
1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide
CID 97441793
1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 5307091
1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide
CID 99945532
1,4-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]indole-2-carboxamide
CID 77092346
4-(cyclopropylmethyl)-1-methyl-N-propylpyrrolo[3,2-b]indole-2-carboxamide
CID 97407118
4-(cyclopropylmethyl)-1-methyl-N-pyridin-3-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155853691
1,4-dimethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110849661

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155838455) is 1,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid is Cn1c(C(=O)NCCN2CCCC2)cc2c1c1ccccc1n2C.O=C(O)C(F)(F)F.
What is the InChIKey of 1,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is WOOOGEMPDQZVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.C2HF3O2/c1-21-15-8-4-3-7-14(15)18-16(21)13-17(22(18)2)19(24)20-9-12-23-10-5-6-11-23;3-2(4,5)1(6)7/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,20,24);(H,6,7).
What are the key properties of 1,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid?
1,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 438.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155838455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).