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

C23H24N4 — CID 25053539

IUPAC3-methyl-4,8b-bis(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCN1CCC2(Cc3ccncc3)c3ccccc3N(Cc3ccncc3)C12
InChIInChI=1S/C23H24N4/c1-26-15-10-23(16-18-6-11-24-12-7-18)20-4-2-3-5-21(20)27(22(23)26)17-19-8-13-25-14-9-19/h2-9,11-14,22H,10,15-17H2,1H3
InChIKeyNQWMDCHHKKVXGW-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.64
Rot. Bonds4

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

3-methyl-4,8b-bis(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (PubChem CID 25053539) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-methyl-4,8b-bis(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.

Molecular Properties

Compound Name3-methyl-4,8b-bis(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
PubChem CID25053539
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name3-methyl-4,8b-bis(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCN1CCC2(Cc3ccncc3)c3ccccc3N(Cc3ccncc3)C12
InChIInChI=1S/C23H24N4/c1-26-15-10-23(16-18-6-11-24-12-7-18)20-4-2-3-5-21(20)27(22(23)26)17-19-8-13-25-14-9-19/h2-9,11-14,22H,10,15-17H2,1H3
InChIKeyNQWMDCHHKKVXGW-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,8b-bis(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The IUPAC name of 3-methyl-4,8b-bis(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (CID 25053539) is 3-methyl-4,8b-bis(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.
What is the SMILES notation for 3-methyl-4,8b-bis(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The canonical SMILES for 3-methyl-4,8b-bis(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is CN1CCC2(Cc3ccncc3)c3ccccc3N(Cc3ccncc3)C12.
What is the InChIKey of 3-methyl-4,8b-bis(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The InChIKey is NQWMDCHHKKVXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-26-15-10-23(16-18-6-11-24-12-7-18)20-4-2-3-5-21(20)27(22(23)26)17-19-8-13-25-14-9-19/h2-9,11-14,22H,10,15-17H2,1H3.
What are the key properties of 3-methyl-4,8b-bis(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
3-methyl-4,8b-bis(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole has a molecular weight of 356.47 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,8b-bis(pyridin-4-ylmethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is sourced from PubChem (CID 25053539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).