2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine

C18H19N3 — CID 92574832

IUPAC2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(CN2CCC[C@@H]2c2cc3cccnc3[nH]2)cc1
InChIInChI=1S/C18H19N3/c1-2-6-14(7-3-1)13-21-11-5-9-17(21)16-12-15-8-4-10-19-18(15)20-16/h1-4,6-8,10,12,17H,5,9,11,13H2,(H,19,20)/t17-/m1/s1
InChIKeyOGHBOGBOSGIMDF-QGZVFWFLSA-N
MW277.37 g/mol
LogP3.90
Rot. Bonds3

About 2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine

2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 92574832) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID92574832
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(CN2CCC[C@@H]2c2cc3cccnc3[nH]2)cc1
InChIInChI=1S/C18H19N3/c1-2-6-14(7-3-1)13-21-11-5-9-17(21)16-12-15-8-4-10-19-18(15)20-16/h1-4,6-8,10,12,17H,5,9,11,13H2,(H,19,20)/t17-/m1/s1
InChIKeyOGHBOGBOSGIMDF-QGZVFWFLSA-N
XLogP3.90
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine (CID 92574832) is 2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine is c1ccc(CN2CCC[C@@H]2c2cc3cccnc3[nH]2)cc1.
What is the InChIKey of 2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is OGHBOGBOSGIMDF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-6-14(7-3-1)13-21-11-5-9-17(21)16-12-15-8-4-10-19-18(15)20-16/h1-4,6-8,10,12,17H,5,9,11,13H2,(H,19,20)/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 277.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 92574832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).