1-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one;1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one

C39H48N6O2 — CID 67378666

IUPAC1-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one;1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2c(-c3ccccc3)[nH]c3ncccc23)C1.CCCC1CC(=O)N(Cc2c(C(C)C)[nH]c3ncccc23)C1
InChIInChI=1S/C21H23N3O.C18H25N3O/c1-2-7-15-12-19(25)24(13-15)14-18-17-10-6-11-22-21(17)23-20(18)16-8-4-3-5-9-16;1-4-6-13-9-16(22)21(10-13)11-15-14-7-5-8-19-18(14)20-17(15)12(2)3/h3-6,8-11,15H,2,7,12-14H2,1H3,(H,22,23);5,7-8,12-13H,4,6,9-11H2,1-3H3,(H,19,20)
InChIKeyJFYQCWAKLVOYJW-UHFFFAOYSA-N
MW632.85 g/mol
LogP8.21
Rot. Bonds10

About 1-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one;1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one

1-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one;1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one (PubChem CID 67378666) has the molecular formula C39H48N6O2 and a molecular weight of 632.85 g/mol. Its IUPAC name is 1-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one;1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one;1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one
PubChem CID67378666
Molecular FormulaC39H48N6O2
Molecular Weight632.85 g/mol
Exact Mass632.38
IUPAC Name1-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one;1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2c(-c3ccccc3)[nH]c3ncccc23)C1.CCCC1CC(=O)N(Cc2c(C(C)C)[nH]c3ncccc23)C1
InChIInChI=1S/C21H23N3O.C18H25N3O/c1-2-7-15-12-19(25)24(13-15)14-18-17-10-6-11-22-21(17)23-20(18)16-8-4-3-5-9-16;1-4-6-13-9-16(22)21(10-13)11-15-14-7-5-8-19-18(14)20-17(15)12(2)3/h3-6,8-11,15H,2,7,12-14H2,1H3,(H,22,23);5,7-8,12-13H,4,6,9-11H2,1-3H3,(H,19,20)
InChIKeyJFYQCWAKLVOYJW-UHFFFAOYSA-N
XLogP8.21
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.85
LogP ≤ 58.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one;1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one;1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one;1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one (CID 67378666) is 1-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one;1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one;1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one;1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cc2c(-c3ccccc3)[nH]c3ncccc23)C1.CCCC1CC(=O)N(Cc2c(C(C)C)[nH]c3ncccc23)C1.
What is the InChIKey of 1-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one;1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one?
The InChIKey is JFYQCWAKLVOYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O.C18H25N3O/c1-2-7-15-12-19(25)24(13-15)14-18-17-10-6-11-22-21(17)23-20(18)16-8-4-3-5-9-16;1-4-6-13-9-16(22)21(10-13)11-15-14-7-5-8-19-18(14)20-17(15)12(2)3/h3-6,8-11,15H,2,7,12-14H2,1H3,(H,22,23);5,7-8,12-13H,4,6,9-11H2,1-3H3,(H,19,20).
What are the key properties of 1-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one;1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one?
1-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one;1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one has a molecular weight of 632.85 g/mol, XLogP of 8.21, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one;1-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 67378666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).