4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine

C22H19N3 — CID 24857728

IUPAC4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc2c(c1)CN(Cc1ccc(-c3ccnc4[nH]ccc34)cc1)C2
InChIInChI=1S/C22H19N3/c1-2-4-19-15-25(14-18(19)3-1)13-16-5-7-17(8-6-16)20-9-11-23-22-21(20)10-12-24-22/h1-12H,13-15H2,(H,23,24)
InChIKeyJEGODMCUQQRKDA-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.75
Rot. Bonds3

About 4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine

4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 24857728) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID24857728
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc2c(c1)CN(Cc1ccc(-c3ccnc4[nH]ccc34)cc1)C2
InChIInChI=1S/C22H19N3/c1-2-4-19-15-25(14-18(19)3-1)13-16-5-7-17(8-6-16)20-9-11-23-22-21(20)10-12-24-22/h1-12H,13-15H2,(H,23,24)
InChIKeyJEGODMCUQQRKDA-UHFFFAOYSA-N
XLogP4.75
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 24857728) is 4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is c1ccc2c(c1)CN(Cc1ccc(-c3ccnc4[nH]ccc34)cc1)C2.
What is the InChIKey of 4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is JEGODMCUQQRKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-2-4-19-15-25(14-18(19)3-1)13-16-5-7-17(8-6-16)20-9-11-23-22-21(20)10-12-24-22/h1-12H,13-15H2,(H,23,24).
What are the key properties of 4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 325.42 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 24857728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).