2-[5-[3-(4-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide

C24H23N5O3 — CID 59824987

IUPAC2-[5-[3-(4-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
SMILESCC(=O)Nc1ccc(-c2c[nH]c3ncc(-c4cncc(C(O)C(=O)N(C)C)c4)cc23)cc1
InChIInChI=1S/C24H23N5O3/c1-14(30)28-19-6-4-15(5-7-19)21-13-27-23-20(21)9-17(12-26-23)16-8-18(11-25-10-16)22(31)24(32)29(2)3/h4-13,22,31H,1-3H3,(H,26,27)(H,28,30)
InChIKeyYFDSJPHCEOXSPZ-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.37
Rot. Bonds5

About 2-[5-[3-(4-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide

2-[5-[3-(4-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide (PubChem CID 59824987) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[5-[3-(4-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-[3-(4-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
PubChem CID59824987
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name2-[5-[3-(4-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
SMILESCC(=O)Nc1ccc(-c2c[nH]c3ncc(-c4cncc(C(O)C(=O)N(C)C)c4)cc23)cc1
InChIInChI=1S/C24H23N5O3/c1-14(30)28-19-6-4-15(5-7-19)21-13-27-23-20(21)9-17(12-26-23)16-8-18(11-25-10-16)22(31)24(32)29(2)3/h4-13,22,31H,1-3H3,(H,26,27)(H,28,30)
InChIKeyYFDSJPHCEOXSPZ-UHFFFAOYSA-N
XLogP3.37
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(4-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The IUPAC name of 2-[5-[3-(4-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide (CID 59824987) is 2-[5-[3-(4-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-[3-(4-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-[3-(4-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide is CC(=O)Nc1ccc(-c2c[nH]c3ncc(-c4cncc(C(O)C(=O)N(C)C)c4)cc23)cc1.
What is the InChIKey of 2-[5-[3-(4-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The InChIKey is YFDSJPHCEOXSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-14(30)28-19-6-4-15(5-7-19)21-13-27-23-20(21)9-17(12-26-23)16-8-18(11-25-10-16)22(31)24(32)29(2)3/h4-13,22,31H,1-3H3,(H,26,27)(H,28,30).
What are the key properties of 2-[5-[3-(4-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
2-[5-[3-(4-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide has a molecular weight of 429.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(4-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide is sourced from PubChem (CID 59824987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).