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

C25H24F2N4O2 — CID 171426410

IUPAC3-ethoxy-5-(fluoromethyl)-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)cc(CF)c1-c1cccc(F)c1
InChIInChI=1S/C25H24F2N4O2/c1-4-33-22-10-17(8-18(11-26)23(22)16-6-5-7-20(27)9-16)25(32)31(3)14-19-12-28-15(2)21-13-29-30-24(19)21/h5-10,12-13H,4,11,14H2,1-3H3,(H,29,30)
InChIKeySFROFPNAAVUEED-UHFFFAOYSA-N
MW450.49 g/mol
LogP5.21
Rot. Bonds7

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

3-ethoxy-5-(fluoromethyl)-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide (PubChem CID 171426410) has the molecular formula C25H24F2N4O2 and a molecular weight of 450.49 g/mol. Its IUPAC name is 3-ethoxy-5-(fluoromethyl)-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-5-(fluoromethyl)-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide
PubChem CID171426410
Molecular FormulaC25H24F2N4O2
Molecular Weight450.49 g/mol
Exact Mass450.19
IUPAC Name3-ethoxy-5-(fluoromethyl)-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)cc(CF)c1-c1cccc(F)c1
InChIInChI=1S/C25H24F2N4O2/c1-4-33-22-10-17(8-18(11-26)23(22)16-6-5-7-20(27)9-16)25(32)31(3)14-19-12-28-15(2)21-13-29-30-24(19)21/h5-10,12-13H,4,11,14H2,1-3H3,(H,29,30)
InChIKeySFROFPNAAVUEED-UHFFFAOYSA-N
XLogP5.21
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide
CID 171106864
3-chloro-5-ethoxy-N-[[4-(fluoromethyl)-5-hydroxy-1H-pyrazolo[4,5-c]pyridin-5-ium-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide
CID 169119608
3-fluoro-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-5-propoxybenzamide
CID 171106879
3-ethoxy-4-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide
CID 177286957
4-(3-cyanophenyl)-3-ethoxy-5-fluoro-N-[(5-hydroxy-4-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium-7-yl)methyl]-N-methylbenzamide
CID 169119609
N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methyl-3-(oxetan-3-yloxy)benzamide
CID 165385194
5-[2-ethoxy-4-[methyl-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]carbamoyl]phenyl]-2-fluoro-N-methylbenzamide
CID 170051306
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide
CID 165385435
3-ethoxy-4-(3-fluorophenyl)-N-[2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]-N-methylbenzamide
CID 177350202
3-ethoxy-4-(3-fluorophenyl)-N-(2-hydroxypropyl)-N-[(1R)-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]benzamide
CID 177350312
3-cyclopropyloxy-5-fluoro-4-(3-fluorophenyl)-N-methyl-N-[1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]benzamide
CID 171106931
3-ethoxy-N-[(1R)-1-[4-(fluoromethyl)-1H-indazol-7-yl]-2-methylpropyl]-4-(3-fluorophenyl)-N-methylbenzamide
CID 171106815

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-(fluoromethyl)-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide?
The IUPAC name of 3-ethoxy-5-(fluoromethyl)-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide (CID 171426410) is 3-ethoxy-5-(fluoromethyl)-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-5-(fluoromethyl)-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide?
The canonical SMILES for 3-ethoxy-5-(fluoromethyl)-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)cc(CF)c1-c1cccc(F)c1.
What is the InChIKey of 3-ethoxy-5-(fluoromethyl)-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide?
The InChIKey is SFROFPNAAVUEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O2/c1-4-33-22-10-17(8-18(11-26)23(22)16-6-5-7-20(27)9-16)25(32)31(3)14-19-12-28-15(2)21-13-29-30-24(19)21/h5-10,12-13H,4,11,14H2,1-3H3,(H,29,30).
What are the key properties of 3-ethoxy-5-(fluoromethyl)-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide?
3-ethoxy-5-(fluoromethyl)-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide has a molecular weight of 450.49 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(fluoromethyl)-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide is sourced from PubChem (CID 171426410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).