1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-(dimethylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone

C23H20ClFN4O2 — CID 157197645

IUPAC1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-(dimethylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone
SMILESCN(C)c1n[nH]c2ncc(CC(=O)c3c(Cl)ccc(OCc4ccccc4)c3F)cc12
InChIInChI=1S/C23H20ClFN4O2/c1-29(2)23-16-10-15(12-26-22(16)27-28-23)11-18(30)20-17(24)8-9-19(21(20)25)31-13-14-6-4-3-5-7-14/h3-10,12H,11,13H2,1-2H3,(H,26,27,28)
InChIKeyAQKXLFQDUDTDDE-UHFFFAOYSA-N
MW438.89 g/mol
LogP4.82
Rot. Bonds7

About 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-(dimethylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone

1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-(dimethylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone (PubChem CID 157197645) has the molecular formula C23H20ClFN4O2 and a molecular weight of 438.89 g/mol. Its IUPAC name is 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-(dimethylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-(dimethylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone
PubChem CID157197645
Molecular FormulaC23H20ClFN4O2
Molecular Weight438.89 g/mol
Exact Mass438.13
IUPAC Name1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-(dimethylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone
SMILESCN(C)c1n[nH]c2ncc(CC(=O)c3c(Cl)ccc(OCc4ccccc4)c3F)cc12
InChIInChI=1S/C23H20ClFN4O2/c1-29(2)23-16-10-15(12-26-22(16)27-28-23)11-18(30)20-17(24)8-9-19(21(20)25)31-13-14-6-4-3-5-7-14/h3-10,12H,11,13H2,1-2H3,(H,26,27,28)
InChIKeyAQKXLFQDUDTDDE-UHFFFAOYSA-N
XLogP4.82
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.89
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-(dimethylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone 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 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-(dimethylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone?
The IUPAC name of 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-(dimethylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone (CID 157197645) is 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-(dimethylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-(dimethylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone?
The canonical SMILES for 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-(dimethylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone is CN(C)c1n[nH]c2ncc(CC(=O)c3c(Cl)ccc(OCc4ccccc4)c3F)cc12.
What is the InChIKey of 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-(dimethylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone?
The InChIKey is AQKXLFQDUDTDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O2/c1-29(2)23-16-10-15(12-26-22(16)27-28-23)11-18(30)20-17(24)8-9-19(21(20)25)31-13-14-6-4-3-5-7-14/h3-10,12H,11,13H2,1-2H3,(H,26,27,28).
What are the key properties of 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-(dimethylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone?
1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-(dimethylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone has a molecular weight of 438.89 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-(dimethylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 157197645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).