4-methyl-2-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine

C16H16N2 — CID 70910644

IUPAC4-methyl-2-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccnc2[nH]c(CCc3ccccc3)cc12
InChIInChI=1S/C16H16N2/c1-12-9-10-17-16-15(12)11-14(18-16)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,17,18)
InChIKeyBCWVSSGNFWSWGV-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.66
Rot. Bonds3

About 4-methyl-2-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine

4-methyl-2-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 70910644) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-methyl-2-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-methyl-2-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID70910644
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name4-methyl-2-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccnc2[nH]c(CCc3ccccc3)cc12
InChIInChI=1S/C16H16N2/c1-12-9-10-17-16-15(12)11-14(18-16)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,17,18)
InChIKeyBCWVSSGNFWSWGV-UHFFFAOYSA-N
XLogP3.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-methyl-2-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine (CID 70910644) is 4-methyl-2-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-methyl-2-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-methyl-2-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine is Cc1ccnc2[nH]c(CCc3ccccc3)cc12.
What is the InChIKey of 4-methyl-2-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BCWVSSGNFWSWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12-9-10-17-16-15(12)11-14(18-16)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,17,18).
What are the key properties of 4-methyl-2-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine?
4-methyl-2-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 236.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70910644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).