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

C23H22N4O3 — CID 59824865

IUPAC2-hydroxy-2-[5-[3-(2-methoxyphenyl)-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)cc12
InChIInChI=1S/C23H22N4O3/c1-27(2)23(29)21(28)16-8-14(10-24-11-16)15-9-18-19(13-26-22(18)25-12-15)17-6-4-5-7-20(17)30-3/h4-13,21,28H,1-3H3,(H,25,26)
InChIKeyBXDSHZOVNFNDOL-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.42
Rot. Bonds5

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

2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide (PubChem CID 59824865) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide
PubChem CID59824865
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-hydroxy-2-[5-[3-(2-methoxyphenyl)-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)cc12
InChIInChI=1S/C23H22N4O3/c1-27(2)23(29)21(28)16-8-14(10-24-11-16)15-9-18-19(13-26-22(18)25-12-15)17-6-4-5-7-20(17)30-3/h4-13,21,28H,1-3H3,(H,25,26)
InChIKeyBXDSHZOVNFNDOL-UHFFFAOYSA-N
XLogP3.42
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.42
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)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?
The IUPAC name of 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide (CID 59824865) is 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-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)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-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)cc12.
What is the InChIKey of 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?
The InChIKey is BXDSHZOVNFNDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-27(2)23(29)21(28)16-8-14(10-24-11-16)15-9-18-19(13-26-22(18)25-12-15)17-6-4-5-7-20(17)30-3/h4-13,21,28H,1-3H3,(H,25,26).
What are the key properties of 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?
2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide has a molecular weight of 402.45 g/mol, XLogP of 3.42, 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)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide is sourced from PubChem (CID 59824865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).