4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide

C24H26N6O2 — CID 175850169

IUPAC4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc([C@H](C)Nc3cnc4cnn(C)c4n3)c2)cc1C
InChIInChI=1S/C24H26N6O2/c1-5-32-21-10-9-18(11-15(21)2)24(31)28-19-8-6-7-17(12-19)16(3)27-22-14-25-20-13-26-30(4)23(20)29-22/h6-14,16H,5H2,1-4H3,(H,27,29)(H,28,31)/t16-/m0/s1
InChIKeyMKEZDNWVLXENFA-INIZCTEOSA-N
MW430.51 g/mol
LogP4.50
Rot. Bonds7

About 4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide

4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide (PubChem CID 175850169) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide
PubChem CID175850169
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc([C@H](C)Nc3cnc4cnn(C)c4n3)c2)cc1C
InChIInChI=1S/C24H26N6O2/c1-5-32-21-10-9-18(11-15(21)2)24(31)28-19-8-6-7-17(12-19)16(3)27-22-14-25-20-13-26-30(4)23(20)29-22/h6-14,16H,5H2,1-4H3,(H,27,29)(H,28,31)/t16-/m0/s1
InChIKeyMKEZDNWVLXENFA-INIZCTEOSA-N
XLogP4.50
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]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 4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide?
The IUPAC name of 4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide (CID 175850169) is 4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc([C@H](C)Nc3cnc4cnn(C)c4n3)c2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide?
The InChIKey is MKEZDNWVLXENFA-INIZCTEOSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-5-32-21-10-9-18(11-15(21)2)24(31)28-19-8-6-7-17(12-19)16(3)27-22-14-25-20-13-26-30(4)23(20)29-22/h6-14,16H,5H2,1-4H3,(H,27,29)(H,28,31)/t16-/m0/s1.
What are the key properties of 4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide?
4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide has a molecular weight of 430.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 175850169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).