N-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide

C23H21FN4O2 — CID 58919729

IUPACN-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide
SMILESCCNC(=O)c1cc(F)c(C)c(-c2ccc3c(-c4ccc(OC)cc4)[nH]nc3n2)c1
InChIInChI=1S/C23H21FN4O2/c1-4-25-23(29)15-11-18(13(2)19(24)12-15)20-10-9-17-21(27-28-22(17)26-20)14-5-7-16(30-3)8-6-14/h5-12H,4H2,1-3H3,(H,25,29)(H,26,27,28)
InChIKeyGWIISRDPGWQNCN-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.50
Rot. Bonds5

About N-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide

N-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide (PubChem CID 58919729) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is N-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide
PubChem CID58919729
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC NameN-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide
SMILESCCNC(=O)c1cc(F)c(C)c(-c2ccc3c(-c4ccc(OC)cc4)[nH]nc3n2)c1
InChIInChI=1S/C23H21FN4O2/c1-4-25-23(29)15-11-18(13(2)19(24)12-15)20-10-9-17-21(27-28-22(17)26-20)14-5-7-16(30-3)8-6-14/h5-12H,4H2,1-3H3,(H,25,29)(H,26,27,28)
InChIKeyGWIISRDPGWQNCN-UHFFFAOYSA-N
XLogP4.50
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
CID 135962688
6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine
CID 70642714
ethyl 4-[3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoate
CID 58565892
3-[4-chloro-5-(4-fluorobenzoyl)-2-pyridinyl]-N-ethyl-5-fluoro-4-methylbenzamide
CID 58919705
ethyl 6-(4-methoxycarbonylphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684810
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
6-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364939
3,5-difluoro-N-[2-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoethyl]benzamide
CID 56527800
3-(4-fluorophenyl)-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548747
4-[3-(4-ethoxycarbonylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-2-ethylbenzoic acid
CID 69012028
1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methoxyphenyl)phenyl]urea;hydrochloride
CID 177253186
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364958

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide?
The IUPAC name of N-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide (CID 58919729) is N-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide.
What is the SMILES notation for N-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide?
The canonical SMILES for N-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide is CCNC(=O)c1cc(F)c(C)c(-c2ccc3c(-c4ccc(OC)cc4)[nH]nc3n2)c1.
What is the InChIKey of N-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide?
The InChIKey is GWIISRDPGWQNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-4-25-23(29)15-11-18(13(2)19(24)12-15)20-10-9-17-21(27-28-22(17)26-20)14-5-7-16(30-3)8-6-14/h5-12H,4H2,1-3H3,(H,25,29)(H,26,27,28).
What are the key properties of N-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide?
N-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide has a molecular weight of 404.45 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide is sourced from PubChem (CID 58919729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).