3,5-difluoro-N-(2-methoxyethyl)-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]benzamide

C20H18F2N6O2 — CID 134327738

IUPAC3,5-difluoro-N-(2-methoxyethyl)-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]benzamide
SMILESCOCCNC(=O)c1cc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C20H18F2N6O2/c1-28-10-12(8-25-28)19-13-7-16(24-9-17(13)26-27-19)18-14(21)5-11(6-15(18)22)20(29)23-3-4-30-2/h5-10H,3-4H2,1-2H3,(H,23,29)(H,26,27)
InChIKeyDDKRSNGNNSYGGE-UHFFFAOYSA-N
MW412.40 g/mol
LogP2.68
Rot. Bonds6

About 3,5-difluoro-N-(2-methoxyethyl)-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]benzamide

3,5-difluoro-N-(2-methoxyethyl)-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]benzamide (PubChem CID 134327738) has the molecular formula C20H18F2N6O2 and a molecular weight of 412.40 g/mol. Its IUPAC name is 3,5-difluoro-N-(2-methoxyethyl)-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(2-methoxyethyl)-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]benzamide
PubChem CID134327738
Molecular FormulaC20H18F2N6O2
Molecular Weight412.40 g/mol
Exact Mass412.15
IUPAC Name3,5-difluoro-N-(2-methoxyethyl)-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]benzamide
SMILESCOCCNC(=O)c1cc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C20H18F2N6O2/c1-28-10-12(8-25-28)19-13-7-16(24-9-17(13)26-27-19)18-14(21)5-11(6-15(18)22)20(29)23-3-4-30-2/h5-10H,3-4H2,1-2H3,(H,23,29)(H,26,27)
InChIKeyDDKRSNGNNSYGGE-UHFFFAOYSA-N
XLogP2.68
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,5-difluoro-N-(2-methoxyethyl)-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(2-methoxyethyl)-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]benzamide?
The IUPAC name of 3,5-difluoro-N-(2-methoxyethyl)-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]benzamide (CID 134327738) is 3,5-difluoro-N-(2-methoxyethyl)-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-(2-methoxyethyl)-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]benzamide?
The canonical SMILES for 3,5-difluoro-N-(2-methoxyethyl)-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]benzamide is COCCNC(=O)c1cc(F)c(-c2cc3c(-c4cnn(C)c4)n[nH]c3cn2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-(2-methoxyethyl)-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]benzamide?
The InChIKey is DDKRSNGNNSYGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O2/c1-28-10-12(8-25-28)19-13-7-16(24-9-17(13)26-27-19)18-14(21)5-11(6-15(18)22)20(29)23-3-4-30-2/h5-10H,3-4H2,1-2H3,(H,23,29)(H,26,27).
What are the key properties of 3,5-difluoro-N-(2-methoxyethyl)-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]benzamide?
3,5-difluoro-N-(2-methoxyethyl)-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]benzamide has a molecular weight of 412.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(2-methoxyethyl)-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]benzamide is sourced from PubChem (CID 134327738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).