6-chloro-2-fluoro-3-[(4-methoxyphenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

C22H18ClFN4O4 — CID 51001901

IUPAC6-chloro-2-fluoro-3-[(4-methoxyphenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCOc1ccc(COc2ccc(Cl)c(C(=O)Nc3cnc4[nH]nc(OC)c4c3)c2F)cc1
InChIInChI=1S/C22H18ClFN4O4/c1-30-14-5-3-12(4-6-14)11-32-17-8-7-16(23)18(19(17)24)21(29)26-13-9-15-20(25-10-13)27-28-22(15)31-2/h3-10H,11H2,1-2H3,(H,26,29)(H,25,27,28)
InChIKeyKQNBHYILSDTVBD-UHFFFAOYSA-N
MW456.86 g/mol
LogP4.60
Rot. Bonds7

About 6-chloro-2-fluoro-3-[(4-methoxyphenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

6-chloro-2-fluoro-3-[(4-methoxyphenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (PubChem CID 51001901) has the molecular formula C22H18ClFN4O4 and a molecular weight of 456.86 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-[(4-methoxyphenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-[(4-methoxyphenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
PubChem CID51001901
Molecular FormulaC22H18ClFN4O4
Molecular Weight456.86 g/mol
Exact Mass456.10
IUPAC Name6-chloro-2-fluoro-3-[(4-methoxyphenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCOc1ccc(COc2ccc(Cl)c(C(=O)Nc3cnc4[nH]nc(OC)c4c3)c2F)cc1
InChIInChI=1S/C22H18ClFN4O4/c1-30-14-5-3-12(4-6-14)11-32-17-8-7-16(23)18(19(17)24)21(29)26-13-9-15-20(25-10-13)27-28-22(15)31-2/h3-10H,11H2,1-2H3,(H,26,29)(H,25,27,28)
InChIKeyKQNBHYILSDTVBD-UHFFFAOYSA-N
XLogP4.60
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.86
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-[(4-methoxyphenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 6-chloro-2-fluoro-3-[(4-methoxyphenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (CID 51001901) is 6-chloro-2-fluoro-3-[(4-methoxyphenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 6-chloro-2-fluoro-3-[(4-methoxyphenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 6-chloro-2-fluoro-3-[(4-methoxyphenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is COc1ccc(COc2ccc(Cl)c(C(=O)Nc3cnc4[nH]nc(OC)c4c3)c2F)cc1.
What is the InChIKey of 6-chloro-2-fluoro-3-[(4-methoxyphenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The InChIKey is KQNBHYILSDTVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O4/c1-30-14-5-3-12(4-6-14)11-32-17-8-7-16(23)18(19(17)24)21(29)26-13-9-15-20(25-10-13)27-28-22(15)31-2/h3-10H,11H2,1-2H3,(H,26,29)(H,25,27,28).
What are the key properties of 6-chloro-2-fluoro-3-[(4-methoxyphenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
6-chloro-2-fluoro-3-[(4-methoxyphenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide has a molecular weight of 456.86 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-[(4-methoxyphenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 51001901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).