4-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine

C18H19N5O3 — CID 59592709

IUPAC4-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine
SMILESCn1ncc2c(-c3ccc([N+](=O)[O-])cc3)cc(CN3CCOCC3)nc21
InChIInChI=1S/C18H19N5O3/c1-21-18-17(11-19-21)16(13-2-4-15(5-3-13)23(24)25)10-14(20-18)12-22-6-8-26-9-7-22/h2-5,10-11H,6-9,12H2,1H3
InChIKeyCGHYCVDODCGPIG-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.38
Rot. Bonds4

About 4-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine

4-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine (PubChem CID 59592709) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine
PubChem CID59592709
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name4-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine
SMILESCn1ncc2c(-c3ccc([N+](=O)[O-])cc3)cc(CN3CCOCC3)nc21
InChIInChI=1S/C18H19N5O3/c1-21-18-17(11-19-21)16(13-2-4-15(5-3-13)23(24)25)10-14(20-18)12-22-6-8-26-9-7-22/h2-5,10-11H,6-9,12H2,1H3
InChIKeyCGHYCVDODCGPIG-UHFFFAOYSA-N
XLogP2.38
TPSA86.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine 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-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine?
The IUPAC name of 4-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine (CID 59592709) is 4-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine is Cn1ncc2c(-c3ccc([N+](=O)[O-])cc3)cc(CN3CCOCC3)nc21.
What is the InChIKey of 4-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine?
The InChIKey is CGHYCVDODCGPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-21-18-17(11-19-21)16(13-2-4-15(5-3-13)23(24)25)10-14(20-18)12-22-6-8-26-9-7-22/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 4-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine?
4-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine has a molecular weight of 353.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-methyl-4-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-6-yl]methyl]morpholine is sourced from PubChem (CID 59592709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).