4-benzyl-3-methyl-8b-(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

C24H25N3 — CID 25053472

IUPAC4-benzyl-3-methyl-8b-(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCN1CCC2(Cc3ccncc3)c3ccccc3N(Cc3ccccc3)C12
InChIInChI=1S/C24H25N3/c1-26-16-13-24(17-19-11-14-25-15-12-19)21-9-5-6-10-22(21)27(23(24)26)18-20-7-3-2-4-8-20/h2-12,14-15,23H,13,16-18H2,1H3
InChIKeyBRGRMLXHRNEHCQ-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.24
Rot. Bonds4

About 4-benzyl-3-methyl-8b-(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

4-benzyl-3-methyl-8b-(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (PubChem CID 25053472) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-benzyl-3-methyl-8b-(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.

Molecular Properties

Compound Name4-benzyl-3-methyl-8b-(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
PubChem CID25053472
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC Name4-benzyl-3-methyl-8b-(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCN1CCC2(Cc3ccncc3)c3ccccc3N(Cc3ccccc3)C12
InChIInChI=1S/C24H25N3/c1-26-16-13-24(17-19-11-14-25-15-12-19)21-9-5-6-10-22(21)27(23(24)26)18-20-7-3-2-4-8-20/h2-12,14-15,23H,13,16-18H2,1H3
InChIKeyBRGRMLXHRNEHCQ-UHFFFAOYSA-N
XLogP4.24
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-methyl-8b-(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The IUPAC name of 4-benzyl-3-methyl-8b-(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (CID 25053472) is 4-benzyl-3-methyl-8b-(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.
What is the SMILES notation for 4-benzyl-3-methyl-8b-(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The canonical SMILES for 4-benzyl-3-methyl-8b-(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is CN1CCC2(Cc3ccncc3)c3ccccc3N(Cc3ccccc3)C12.
What is the InChIKey of 4-benzyl-3-methyl-8b-(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The InChIKey is BRGRMLXHRNEHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3/c1-26-16-13-24(17-19-11-14-25-15-12-19)21-9-5-6-10-22(21)27(23(24)26)18-20-7-3-2-4-8-20/h2-12,14-15,23H,13,16-18H2,1H3.
What are the key properties of 4-benzyl-3-methyl-8b-(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
4-benzyl-3-methyl-8b-(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole has a molecular weight of 355.49 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-methyl-8b-(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is sourced from PubChem (CID 25053472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).