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

C24H24N4O3 — CID 25124231

IUPAC2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(C)c12
InChIInChI=1S/C24H24N4O3/c1-14-18(15-9-16(11-25-10-15)22(29)24(30)28(2)3)12-26-23-21(14)19(13-27-23)17-7-5-6-8-20(17)31-4/h5-13,22,29H,1-4H3,(H,26,27)
InChIKeyNBXVWQNPLIRXDG-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.73
Rot. Bonds5

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

2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide (PubChem CID 25124231) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide
PubChem CID25124231
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(C)c12
InChIInChI=1S/C24H24N4O3/c1-14-18(15-9-16(11-25-10-15)22(29)24(30)28(2)3)12-26-23-21(14)19(13-27-23)17-7-5-6-8-20(17)31-4/h5-13,22,29H,1-4H3,(H,26,27)
InChIKeyNBXVWQNPLIRXDG-UHFFFAOYSA-N
XLogP3.73
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?
The IUPAC name of 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide (CID 25124231) is 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide is COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(C)c12.
What is the InChIKey of 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?
The InChIKey is NBXVWQNPLIRXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-14-18(15-9-16(11-25-10-15)22(29)24(30)28(2)3)12-26-23-21(14)19(13-27-23)17-7-5-6-8-20(17)31-4/h5-13,22,29H,1-4H3,(H,26,27).
What are the key properties of 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?
2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide has a molecular weight of 416.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide is sourced from PubChem (CID 25124231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).