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

C25H24ClFN4O3 — CID 146974741

IUPAC1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone
SMILESCN(C)CCOc1n[nH]c2ncc(CC(=O)c3c(Cl)ccc(OCc4ccccc4)c3F)cc12
InChIInChI=1S/C25H24ClFN4O3/c1-31(2)10-11-33-25-18-12-17(14-28-24(18)29-30-25)13-20(32)22-19(26)8-9-21(23(22)27)34-15-16-6-4-3-5-7-16/h3-9,12,14H,10-11,13,15H2,1-2H3,(H,28,29,30)
InChIKeyANCVLAPRLSLLKD-UHFFFAOYSA-N
MW482.94 g/mol
LogP4.70
Rot. Bonds10

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

1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone (PubChem CID 146974741) has the molecular formula C25H24ClFN4O3 and a molecular weight of 482.94 g/mol. Its IUPAC name is 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone
PubChem CID146974741
Molecular FormulaC25H24ClFN4O3
Molecular Weight482.94 g/mol
Exact Mass482.15
IUPAC Name1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone
SMILESCN(C)CCOc1n[nH]c2ncc(CC(=O)c3c(Cl)ccc(OCc4ccccc4)c3F)cc12
InChIInChI=1S/C25H24ClFN4O3/c1-31(2)10-11-33-25-18-12-17(14-28-24(18)29-30-25)13-20(32)22-19(26)8-9-21(23(22)27)34-15-16-6-4-3-5-7-16/h3-9,12,14H,10-11,13,15H2,1-2H3,(H,28,29,30)
InChIKeyANCVLAPRLSLLKD-UHFFFAOYSA-N
XLogP4.70
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.94
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone?
The IUPAC name of 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone (CID 146974741) is 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone?
The canonical SMILES for 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone is CN(C)CCOc1n[nH]c2ncc(CC(=O)c3c(Cl)ccc(OCc4ccccc4)c3F)cc12.
What is the InChIKey of 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone?
The InChIKey is ANCVLAPRLSLLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4O3/c1-31(2)10-11-33-25-18-12-17(14-28-24(18)29-30-25)13-20(32)22-19(26)8-9-21(23(22)27)34-15-16-6-4-3-5-7-16/h3-9,12,14H,10-11,13,15H2,1-2H3,(H,28,29,30).
What are the key properties of 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone?
1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone has a molecular weight of 482.94 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-fluoro-3-phenylmethoxyphenyl)-2-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[5,4-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 146974741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).