3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide

C21H19F2N5O2 — CID 70258546

IUPAC3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide
SMILESCCOc1ccc(-c2[nH]nc3ncc(NC(=O)C4=C(F)C(N)=CCC4F)cc23)cc1
InChIInChI=1S/C21H19F2N5O2/c1-2-30-13-5-3-11(4-6-13)19-14-9-12(10-25-20(14)28-27-19)26-21(29)17-15(22)7-8-16(24)18(17)23/h3-6,8-10,15H,2,7,24H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyYWTOJKLJWCJABI-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.77
Rot. Bonds5

About 3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide

3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide (PubChem CID 70258546) has the molecular formula C21H19F2N5O2 and a molecular weight of 411.41 g/mol. Its IUPAC name is 3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide
PubChem CID70258546
Molecular FormulaC21H19F2N5O2
Molecular Weight411.41 g/mol
Exact Mass411.15
IUPAC Name3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide
SMILESCCOc1ccc(-c2[nH]nc3ncc(NC(=O)C4=C(F)C(N)=CCC4F)cc23)cc1
InChIInChI=1S/C21H19F2N5O2/c1-2-30-13-5-3-11(4-6-13)19-14-9-12(10-25-20(14)28-27-19)26-21(29)17-15(22)7-8-16(24)18(17)23/h3-6,8-10,15H,2,7,24H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyYWTOJKLJWCJABI-UHFFFAOYSA-N
XLogP3.77
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide 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

3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide
CID 89283875
3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 82479753
3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551
5-(4-ethoxyphenyl)-N-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 17010994
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide
CID 62679243
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide
CID 86843550
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
N-[(4-ethoxyphenyl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 71825312
5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 46297846
2-(4-ethoxyphenyl)-N-(3-fluorophenyl)acetamide
CID 26579486

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide (CID 70258546) is 3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide is CCOc1ccc(-c2[nH]nc3ncc(NC(=O)C4=C(F)C(N)=CCC4F)cc23)cc1.
What is the InChIKey of 3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide?
The InChIKey is YWTOJKLJWCJABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O2/c1-2-30-13-5-3-11(4-6-13)19-14-9-12(10-25-20(14)28-27-19)26-21(29)17-15(22)7-8-16(24)18(17)23/h3-6,8-10,15H,2,7,24H2,1H3,(H,26,29)(H,25,27,28).
What are the key properties of 3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide?
3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide has a molecular weight of 411.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 70258546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).