3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide

C24H23FN4O2 — CID 165385085

IUPAC3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cnc(C)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C24H23FN4O2/c1-4-31-22-11-17(8-9-20(22)16-6-5-7-19(25)10-16)24(30)29(3)14-18-12-26-15(2)21-13-27-28-23(18)21/h5-13H,4,14H2,1-3H3,(H,27,28)
InChIKeyYOWUGJLCKWIWIO-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.74
Rot. Bonds6

About 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide

3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide (PubChem CID 165385085) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide
PubChem CID165385085
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cnc(C)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C24H23FN4O2/c1-4-31-22-11-17(8-9-20(22)16-6-5-7-19(25)10-16)24(30)29(3)14-18-12-26-15(2)21-13-27-28-23(18)21/h5-13H,4,14H2,1-3H3,(H,27,28)
InChIKeyYOWUGJLCKWIWIO-UHFFFAOYSA-N
XLogP4.74
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide?
The IUPAC name of 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide (CID 165385085) is 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide.
What is the SMILES notation for 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide?
The canonical SMILES for 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide is CCOc1cc(C(=O)N(C)Cc2cnc(C)c3cn[nH]c23)ccc1-c1cccc(F)c1.
What is the InChIKey of 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide?
The InChIKey is YOWUGJLCKWIWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-4-31-22-11-17(8-9-20(22)16-6-5-7-19(25)10-16)24(30)29(3)14-18-12-26-15(2)21-13-27-28-23(18)21/h5-13H,4,14H2,1-3H3,(H,27,28).
What are the key properties of 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide?
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide has a molecular weight of 418.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide is sourced from PubChem (CID 165385085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).