2,2-dimethyl-1-[2-[3-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one

C26H27N5O — CID 59540785

IUPAC2,2-dimethyl-1-[2-[3-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
SMILESCC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(N4CCC(c5ccccn5)C4)c3)nc12
InChIInChI=1S/C26H27N5O/c1-26(2,3)24(32)20-14-28-25-23(20)30-22(15-29-25)17-7-6-8-19(13-17)31-12-10-18(16-31)21-9-4-5-11-27-21/h4-9,11,13-15,18H,10,12,16H2,1-3H3,(H,28,29)
InChIKeyOCDMDSNAMLLNFC-UHFFFAOYSA-N
MW425.54 g/mol
LogP5.24
Rot. Bonds4

About 2,2-dimethyl-1-[2-[3-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one

2,2-dimethyl-1-[2-[3-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one (PubChem CID 59540785) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-[3-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-[3-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
PubChem CID59540785
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name2,2-dimethyl-1-[2-[3-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
SMILESCC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(N4CCC(c5ccccn5)C4)c3)nc12
InChIInChI=1S/C26H27N5O/c1-26(2,3)24(32)20-14-28-25-23(20)30-22(15-29-25)17-7-6-8-19(13-17)31-12-10-18(16-31)21-9-4-5-11-27-21/h4-9,11,13-15,18H,10,12,16H2,1-3H3,(H,28,29)
InChIKeyOCDMDSNAMLLNFC-UHFFFAOYSA-N
XLogP5.24
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-1-[2-[3-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-[3-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-[3-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one (CID 59540785) is 2,2-dimethyl-1-[2-[3-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-[3-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-[3-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one is CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(N4CCC(c5ccccn5)C4)c3)nc12.
What is the InChIKey of 2,2-dimethyl-1-[2-[3-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?
The InChIKey is OCDMDSNAMLLNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-26(2,3)24(32)20-14-28-25-23(20)30-22(15-29-25)17-7-6-8-19(13-17)31-12-10-18(16-31)21-9-4-5-11-27-21/h4-9,11,13-15,18H,10,12,16H2,1-3H3,(H,28,29).
What are the key properties of 2,2-dimethyl-1-[2-[3-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?
2,2-dimethyl-1-[2-[3-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one has a molecular weight of 425.54 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-[3-(3-pyridin-2-ylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 59540785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).