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

C24H25N5O2 — CID 59824977

IUPAC2-[5-[3-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccc(N(C)C)cc4)c3c2)c1
InChIInChI=1S/C24H25N5O2/c1-28(2)19-7-5-15(6-8-19)21-14-27-23-20(21)10-17(13-26-23)16-9-18(12-25-11-16)22(30)24(31)29(3)4/h5-14,22,30H,1-4H3,(H,26,27)
InChIKeyOAXUHGWZBYCGEJ-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.48
Rot. Bonds5

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

2-[5-[3-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide (PubChem CID 59824977) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-[5-[3-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-[3-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
PubChem CID59824977
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-[5-[3-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccc(N(C)C)cc4)c3c2)c1
InChIInChI=1S/C24H25N5O2/c1-28(2)19-7-5-15(6-8-19)21-14-27-23-20(21)10-17(13-26-23)16-9-18(12-25-11-16)22(30)24(31)29(3)4/h5-14,22,30H,1-4H3,(H,26,27)
InChIKeyOAXUHGWZBYCGEJ-UHFFFAOYSA-N
XLogP3.48
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The IUPAC name of 2-[5-[3-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide (CID 59824977) is 2-[5-[3-[4-(dimethylamino)phenyl]-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-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-[3-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide is CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccc(N(C)C)cc4)c3c2)c1.
What is the InChIKey of 2-[5-[3-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
The InChIKey is OAXUHGWZBYCGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-28(2)19-7-5-15(6-8-19)21-14-27-23-20(21)10-17(13-26-23)16-9-18(12-25-11-16)22(30)24(31)29(3)4/h5-14,22,30H,1-4H3,(H,26,27).
What are the key properties of 2-[5-[3-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?
2-[5-[3-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide has a molecular weight of 415.50 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide is sourced from PubChem (CID 59824977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).