3-ethoxy-4-(3-fluorophenyl)-N-[2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]-N-methylbenzamide

C25H25FN4O3 — CID 177350202

IUPAC3-ethoxy-4-(3-fluorophenyl)-N-[2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)C(CO)c2cnc(C)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C25H25FN4O3/c1-4-33-23-11-17(8-9-19(23)16-6-5-7-18(26)10-16)25(32)30(3)22(14-31)21-12-27-15(2)20-13-28-29-24(20)21/h5-13,22,31H,4,14H2,1-3H3,(H,28,29)
InChIKeyINSSVNCQJSKZME-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.28
Rot. Bonds7

About 3-ethoxy-4-(3-fluorophenyl)-N-[2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]-N-methylbenzamide

3-ethoxy-4-(3-fluorophenyl)-N-[2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]-N-methylbenzamide (PubChem CID 177350202) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 3-ethoxy-4-(3-fluorophenyl)-N-[2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-ethoxy-4-(3-fluorophenyl)-N-[2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]-N-methylbenzamide
PubChem CID177350202
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC Name3-ethoxy-4-(3-fluorophenyl)-N-[2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)C(CO)c2cnc(C)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C25H25FN4O3/c1-4-33-23-11-17(8-9-19(23)16-6-5-7-18(26)10-16)25(32)30(3)22(14-31)21-12-27-15(2)20-13-28-29-24(20)21/h5-13,22,31H,4,14H2,1-3H3,(H,28,29)
InChIKeyINSSVNCQJSKZME-UHFFFAOYSA-N
XLogP4.28
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-N-[(1S)-1-(4-ethyl-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-hydroxyethyl]-4-(3-fluorophenyl)-N-methylbenzamide
CID 177286934
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
3-ethoxy-N-[(1R)-1-[4-(fluoromethyl)-1H-indazol-7-yl]-2-methylpropyl]-4-(3-fluorophenyl)-N-methylbenzamide
CID 171106815
3-ethoxy-4-(3-fluorophenyl)-N-[1-(4-isocyano-1H-indazol-7-yl)ethyl]-N-methylbenzamide
CID 170521505
4-(3-chlorophenyl)-3-ethoxy-N-[(1S,2S)-2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)propyl]-N-methylbenzamide
CID 177286932
3-ethoxy-4-(3-fluorophenyl)-N-[(1S)-1-(1H-indazol-7-yl)ethyl]-N-methylbenzamide
CID 170020764
3-ethoxy-4-(3-fluorophenyl)-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methylbenzamide
CID 170020763
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(1R)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]benzamide
CID 165385355
(3R)-3-[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]-3-(1H-indazol-7-yl)-N,N-dimethylpropan-1-amine oxide
CID 177350230
N-butan-2-yl-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide
CID 171106905
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(R)-(1-methylazetidin-3-yl)-(1H-pyrazolo[4,3-c]pyridin-7-yl)methyl]benzamide
CID 177287073

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(3-fluorophenyl)-N-[2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]-N-methylbenzamide?
The IUPAC name of 3-ethoxy-4-(3-fluorophenyl)-N-[2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]-N-methylbenzamide (CID 177350202) is 3-ethoxy-4-(3-fluorophenyl)-N-[2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-ethoxy-4-(3-fluorophenyl)-N-[2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-ethoxy-4-(3-fluorophenyl)-N-[2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]-N-methylbenzamide is CCOc1cc(C(=O)N(C)C(CO)c2cnc(C)c3cn[nH]c23)ccc1-c1cccc(F)c1.
What is the InChIKey of 3-ethoxy-4-(3-fluorophenyl)-N-[2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]-N-methylbenzamide?
The InChIKey is INSSVNCQJSKZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-4-33-23-11-17(8-9-19(23)16-6-5-7-18(26)10-16)25(32)30(3)22(14-31)21-12-27-15(2)20-13-28-29-24(20)21/h5-13,22,31H,4,14H2,1-3H3,(H,28,29).
What are the key properties of 3-ethoxy-4-(3-fluorophenyl)-N-[2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]-N-methylbenzamide?
3-ethoxy-4-(3-fluorophenyl)-N-[2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]-N-methylbenzamide has a molecular weight of 448.50 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(3-fluorophenyl)-N-[2-hydroxy-1-(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 177350202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).