2-[3-(2-pyrrolidin-1-ylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine

C19H21N3 — CID 141182244

IUPAC2-[3-(2-pyrrolidin-1-ylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc(CCN2CCCC2)cc(-c2cc3cccnc3[nH]2)c1
InChIInChI=1S/C19H21N3/c1-2-11-22(10-1)12-8-15-5-3-6-16(13-15)18-14-17-7-4-9-20-19(17)21-18/h3-7,9,13-14H,1-2,8,10-12H2,(H,20,21)
InChIKeyAVRVRIPMBNPGPZ-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.87
Rot. Bonds4

About 2-[3-(2-pyrrolidin-1-ylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine

2-[3-(2-pyrrolidin-1-ylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 141182244) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[3-(2-pyrrolidin-1-ylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[3-(2-pyrrolidin-1-ylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID141182244
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name2-[3-(2-pyrrolidin-1-ylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc(CCN2CCCC2)cc(-c2cc3cccnc3[nH]2)c1
InChIInChI=1S/C19H21N3/c1-2-11-22(10-1)12-8-15-5-3-6-16(13-15)18-14-17-7-4-9-20-19(17)21-18/h3-7,9,13-14H,1-2,8,10-12H2,(H,20,21)
InChIKeyAVRVRIPMBNPGPZ-UHFFFAOYSA-N
XLogP3.87
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-pyrrolidin-1-ylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[3-(2-pyrrolidin-1-ylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 141182244) is 2-[3-(2-pyrrolidin-1-ylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[3-(2-pyrrolidin-1-ylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[3-(2-pyrrolidin-1-ylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is c1cc(CCN2CCCC2)cc(-c2cc3cccnc3[nH]2)c1.
What is the InChIKey of 2-[3-(2-pyrrolidin-1-ylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AVRVRIPMBNPGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-2-11-22(10-1)12-8-15-5-3-6-16(13-15)18-14-17-7-4-9-20-19(17)21-18/h3-7,9,13-14H,1-2,8,10-12H2,(H,20,21).
What are the key properties of 2-[3-(2-pyrrolidin-1-ylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
2-[3-(2-pyrrolidin-1-ylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 291.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-pyrrolidin-1-ylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 141182244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).