3-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

C20H25N5O2 — CID 135450601

IUPAC3-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCN3CCOCC3)cc12
InChIInChI=1S/C20H25N5O2/c1-15-18-13-16(14-21-7-8-24-9-11-27-12-10-24)20(26)22-19(18)25(23-15)17-5-3-2-4-6-17/h2-6,13,21H,7-12,14H2,1H3,(H,22,26)
InChIKeyDIEQZPUBRSMDCG-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.44
Rot. Bonds6

About 3-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

3-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135450601) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135450601
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name3-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCN3CCOCC3)cc12
InChIInChI=1S/C20H25N5O2/c1-15-18-13-16(14-21-7-8-24-9-11-27-12-10-24)20(26)22-19(18)25(23-15)17-5-3-2-4-6-17/h2-6,13,21H,7-12,14H2,1H3,(H,22,26)
InChIKeyDIEQZPUBRSMDCG-UHFFFAOYSA-N
XLogP1.44
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one 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-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135450601) is 3-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCN3CCOCC3)cc12.
What is the InChIKey of 3-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is DIEQZPUBRSMDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-15-18-13-16(14-21-7-8-24-9-11-27-12-10-24)20(26)22-19(18)25(23-15)17-5-3-2-4-6-17/h2-6,13,21H,7-12,14H2,1H3,(H,22,26).
What are the key properties of 3-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
3-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 367.45 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135450601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).