(3-benzylpyrrolidin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone

C19H19N3O — CID 25024504

IUPAC(3-benzylpyrrolidin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
SMILESO=C(c1cnc2[nH]ccc2c1)C1(Cc2ccccc2)CCNC1
InChIInChI=1S/C19H19N3O/c23-17(16-10-15-6-8-21-18(15)22-12-16)19(7-9-20-13-19)11-14-4-2-1-3-5-14/h1-6,8,10,12,20H,7,9,11,13H2,(H,21,22)
InChIKeyWFPLHAHCHOHVGF-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.97
Rot. Bonds4

About (3-benzylpyrrolidin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone

(3-benzylpyrrolidin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone (PubChem CID 25024504) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is (3-benzylpyrrolidin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(3-benzylpyrrolidin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
PubChem CID25024504
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name(3-benzylpyrrolidin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
SMILESO=C(c1cnc2[nH]ccc2c1)C1(Cc2ccccc2)CCNC1
InChIInChI=1S/C19H19N3O/c23-17(16-10-15-6-8-21-18(15)22-12-16)19(7-9-20-13-19)11-14-4-2-1-3-5-14/h1-6,8,10,12,20H,7,9,11,13H2,(H,21,22)
InChIKeyWFPLHAHCHOHVGF-UHFFFAOYSA-N
XLogP2.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-benzylpyrrolidin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone?
The IUPAC name of (3-benzylpyrrolidin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone (CID 25024504) is (3-benzylpyrrolidin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone.
What is the SMILES notation for (3-benzylpyrrolidin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone?
The canonical SMILES for (3-benzylpyrrolidin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone is O=C(c1cnc2[nH]ccc2c1)C1(Cc2ccccc2)CCNC1.
What is the InChIKey of (3-benzylpyrrolidin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone?
The InChIKey is WFPLHAHCHOHVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-17(16-10-15-6-8-21-18(15)22-12-16)19(7-9-20-13-19)11-14-4-2-1-3-5-14/h1-6,8,10,12,20H,7,9,11,13H2,(H,21,22).
What are the key properties of (3-benzylpyrrolidin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone?
(3-benzylpyrrolidin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone has a molecular weight of 305.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylpyrrolidin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone is sourced from PubChem (CID 25024504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).