1-[6-chloro-3-[(4-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]-2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethanone

C22H15Cl2F2N3O3 — CID 147818732

IUPAC1-[6-chloro-3-[(4-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]-2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethanone
SMILESCOc1n[nH]c2ncc(CC(=O)c3c(Cl)ccc(OCc4ccc(Cl)cc4F)c3F)cc12
InChIInChI=1S/C22H15Cl2F2N3O3/c1-31-22-14-6-11(9-27-21(14)28-29-22)7-17(30)19-15(24)4-5-18(20(19)26)32-10-12-2-3-13(23)8-16(12)25/h2-6,8-9H,7,10H2,1H3,(H,27,28,29)
InChIKeyHOUZKASJYFWDRV-UHFFFAOYSA-N
MW478.28 g/mol
LogP5.56
Rot. Bonds7

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

1-[6-chloro-3-[(4-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]-2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethanone (PubChem CID 147818732) has the molecular formula C22H15Cl2F2N3O3 and a molecular weight of 478.28 g/mol. Its IUPAC name is 1-[6-chloro-3-[(4-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]-2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-[6-chloro-3-[(4-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]-2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethanone
PubChem CID147818732
Molecular FormulaC22H15Cl2F2N3O3
Molecular Weight478.28 g/mol
Exact Mass477.05
IUPAC Name1-[6-chloro-3-[(4-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]-2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethanone
SMILESCOc1n[nH]c2ncc(CC(=O)c3c(Cl)ccc(OCc4ccc(Cl)cc4F)c3F)cc12
InChIInChI=1S/C22H15Cl2F2N3O3/c1-31-22-14-6-11(9-27-21(14)28-29-22)7-17(30)19-15(24)4-5-18(20(19)26)32-10-12-2-3-13(23)8-16(12)25/h2-6,8-9H,7,10H2,1H3,(H,27,28,29)
InChIKeyHOUZKASJYFWDRV-UHFFFAOYSA-N
XLogP5.56
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.28
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-chloro-3-[(4-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]-2-(3-methoxy-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-3-[(4-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]-2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethanone?
The IUPAC name of 1-[6-chloro-3-[(4-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]-2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethanone (CID 147818732) is 1-[6-chloro-3-[(4-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]-2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-[6-chloro-3-[(4-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]-2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethanone?
The canonical SMILES for 1-[6-chloro-3-[(4-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]-2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethanone is COc1n[nH]c2ncc(CC(=O)c3c(Cl)ccc(OCc4ccc(Cl)cc4F)c3F)cc12.
What is the InChIKey of 1-[6-chloro-3-[(4-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]-2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethanone?
The InChIKey is HOUZKASJYFWDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2F2N3O3/c1-31-22-14-6-11(9-27-21(14)28-29-22)7-17(30)19-15(24)4-5-18(20(19)26)32-10-12-2-3-13(23)8-16(12)25/h2-6,8-9H,7,10H2,1H3,(H,27,28,29).
What are the key properties of 1-[6-chloro-3-[(4-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]-2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethanone?
1-[6-chloro-3-[(4-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]-2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethanone has a molecular weight of 478.28 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-3-[(4-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]-2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethanone is sourced from PubChem (CID 147818732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).