5-[2-ethoxy-4-[methyl-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]carbamoyl]phenyl]-2-fluoro-N-methylbenzamide

C26H26FN5O3 — CID 170051306

IUPAC5-[2-ethoxy-4-[methyl-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]carbamoyl]phenyl]-2-fluoro-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cnc(C)c3cn[nH]c23)ccc1-c1ccc(F)c(C(=O)NC)c1
InChIInChI=1S/C26H26FN5O3/c1-5-35-23-11-17(6-8-19(23)16-7-9-22(27)20(10-16)25(33)28-3)26(34)32(4)14-18-12-29-15(2)21-13-30-31-24(18)21/h6-13H,5,14H2,1-4H3,(H,28,33)(H,30,31)
InChIKeySZMIIVIYHXALCZ-UHFFFAOYSA-N
MW475.52 g/mol
LogP4.10
Rot. Bonds7

About 5-[2-ethoxy-4-[methyl-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]carbamoyl]phenyl]-2-fluoro-N-methylbenzamide

5-[2-ethoxy-4-[methyl-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]carbamoyl]phenyl]-2-fluoro-N-methylbenzamide (PubChem CID 170051306) has the molecular formula C26H26FN5O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is 5-[2-ethoxy-4-[methyl-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]carbamoyl]phenyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-[2-ethoxy-4-[methyl-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]carbamoyl]phenyl]-2-fluoro-N-methylbenzamide
PubChem CID170051306
Molecular FormulaC26H26FN5O3
Molecular Weight475.52 g/mol
Exact Mass475.20
IUPAC Name5-[2-ethoxy-4-[methyl-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]carbamoyl]phenyl]-2-fluoro-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cnc(C)c3cn[nH]c23)ccc1-c1ccc(F)c(C(=O)NC)c1
InChIInChI=1S/C26H26FN5O3/c1-5-35-23-11-17(6-8-19(23)16-7-9-22(27)20(10-16)25(33)28-3)26(34)32(4)14-18-12-29-15(2)21-13-30-31-24(18)21/h6-13H,5,14H2,1-4H3,(H,28,33)(H,30,31)
InChIKeySZMIIVIYHXALCZ-UHFFFAOYSA-N
XLogP4.10
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-ethoxy-4-[methyl-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]carbamoyl]phenyl]-2-fluoro-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-5-[4-[1H-indazol-7-ylmethyl(methyl)carbamoyl]-2-propoxyphenyl]-N-methylbenzamide
CID 165385378
5-[2-ethoxy-4-[1H-indol-7-ylmethyl(methyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide
CID 165385255
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-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-(3-phosphanylphenyl)benzamide
CID 170400492
3-ethoxy-5-(fluoromethyl)-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]benzamide
CID 171426410
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide
CID 165385435
N-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide
CID 165385281
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-ethoxy-4-(4-ethynylphenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385424
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(4-prop-1-ynylphenyl)benzamide
CID 165385234
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

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethoxy-4-[methyl-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]carbamoyl]phenyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-[2-ethoxy-4-[methyl-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]carbamoyl]phenyl]-2-fluoro-N-methylbenzamide (CID 170051306) is 5-[2-ethoxy-4-[methyl-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]carbamoyl]phenyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-[2-ethoxy-4-[methyl-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]carbamoyl]phenyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-[2-ethoxy-4-[methyl-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]carbamoyl]phenyl]-2-fluoro-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2cnc(C)c3cn[nH]c23)ccc1-c1ccc(F)c(C(=O)NC)c1.
What is the InChIKey of 5-[2-ethoxy-4-[methyl-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]carbamoyl]phenyl]-2-fluoro-N-methylbenzamide?
The InChIKey is SZMIIVIYHXALCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O3/c1-5-35-23-11-17(6-8-19(23)16-7-9-22(27)20(10-16)25(33)28-3)26(34)32(4)14-18-12-29-15(2)21-13-30-31-24(18)21/h6-13H,5,14H2,1-4H3,(H,28,33)(H,30,31).
What are the key properties of 5-[2-ethoxy-4-[methyl-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]carbamoyl]phenyl]-2-fluoro-N-methylbenzamide?
5-[2-ethoxy-4-[methyl-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]carbamoyl]phenyl]-2-fluoro-N-methylbenzamide has a molecular weight of 475.52 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethoxy-4-[methyl-[(4-methyl-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]carbamoyl]phenyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 170051306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).