1-ethyl-4-(4-methoxybutylamino)-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C20H26N6O2 — CID 70238003

IUPAC1-ethyl-4-(4-methoxybutylamino)-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NCCCCOC)c(C(=O)NCc3ccncc3)cnc21
InChIInChI=1S/C20H26N6O2/c1-3-26-19-16(14-25-26)18(22-8-4-5-11-28-2)17(13-23-19)20(27)24-12-15-6-9-21-10-7-15/h6-7,9-10,13-14H,3-5,8,11-12H2,1-2H3,(H,22,23)(H,24,27)
InChIKeyDOTXUSASZVJFLQ-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.61
Rot. Bonds10

About 1-ethyl-4-(4-methoxybutylamino)-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-ethyl-4-(4-methoxybutylamino)-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 70238003) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-ethyl-4-(4-methoxybutylamino)-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-(4-methoxybutylamino)-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID70238003
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-ethyl-4-(4-methoxybutylamino)-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NCCCCOC)c(C(=O)NCc3ccncc3)cnc21
InChIInChI=1S/C20H26N6O2/c1-3-26-19-16(14-25-26)18(22-8-4-5-11-28-2)17(13-23-19)20(27)24-12-15-6-9-21-10-7-15/h6-7,9-10,13-14H,3-5,8,11-12H2,1-2H3,(H,22,23)(H,24,27)
InChIKeyDOTXUSASZVJFLQ-UHFFFAOYSA-N
XLogP2.61
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-(4-methoxybutylamino)-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide 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 1-ethyl-4-(4-methoxybutylamino)-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-ethyl-4-(4-methoxybutylamino)-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 70238003) is 1-ethyl-4-(4-methoxybutylamino)-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-ethyl-4-(4-methoxybutylamino)-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-ethyl-4-(4-methoxybutylamino)-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NCCCCOC)c(C(=O)NCc3ccncc3)cnc21.
What is the InChIKey of 1-ethyl-4-(4-methoxybutylamino)-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is DOTXUSASZVJFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-3-26-19-16(14-25-26)18(22-8-4-5-11-28-2)17(13-23-19)20(27)24-12-15-6-9-21-10-7-15/h6-7,9-10,13-14H,3-5,8,11-12H2,1-2H3,(H,22,23)(H,24,27).
What are the key properties of 1-ethyl-4-(4-methoxybutylamino)-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-ethyl-4-(4-methoxybutylamino)-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 2.61, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-methoxybutylamino)-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 70238003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).