3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-1-N-phenylbenzene-1,3-dicarboxamide

C21H17N5O3 — CID 71449525

IUPAC3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-1-N-phenylbenzene-1,3-dicarboxamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)cc12
InChIInChI=1S/C21H17N5O3/c1-29-21-17-11-16(12-22-18(17)25-26-21)24-20(28)14-7-5-6-13(10-14)19(27)23-15-8-3-2-4-9-15/h2-12H,1H3,(H,23,27)(H,24,28)(H,22,25,26)
InChIKeyJRJWYAILHVLYLF-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.47
Rot. Bonds5

About 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-1-N-phenylbenzene-1,3-dicarboxamide

3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-1-N-phenylbenzene-1,3-dicarboxamide (PubChem CID 71449525) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-1-N-phenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-1-N-phenylbenzene-1,3-dicarboxamide
PubChem CID71449525
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-1-N-phenylbenzene-1,3-dicarboxamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)cc12
InChIInChI=1S/C21H17N5O3/c1-29-21-17-11-16(12-22-18(17)25-26-21)24-20(28)14-7-5-6-13(10-14)19(27)23-15-8-3-2-4-9-15/h2-12H,1H3,(H,23,27)(H,24,28)(H,22,25,26)
InChIKeyJRJWYAILHVLYLF-UHFFFAOYSA-N
XLogP3.47
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-1-N-phenylbenzene-1,3-dicarboxamide 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-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-1-N-phenylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-1-N-phenylbenzene-1,3-dicarboxamide (CID 71449525) is 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-1-N-phenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-1-N-phenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-1-N-phenylbenzene-1,3-dicarboxamide is COc1n[nH]c2ncc(NC(=O)c3cccc(C(=O)Nc4ccccc4)c3)cc12.
What is the InChIKey of 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-1-N-phenylbenzene-1,3-dicarboxamide?
The InChIKey is JRJWYAILHVLYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-29-21-17-11-16(12-22-18(17)25-26-21)24-20(28)14-7-5-6-13(10-14)19(27)23-15-8-3-2-4-9-15/h2-12H,1H3,(H,23,27)(H,24,28)(H,22,25,26).
What are the key properties of 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-1-N-phenylbenzene-1,3-dicarboxamide?
3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-1-N-phenylbenzene-1,3-dicarboxamide has a molecular weight of 387.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-1-N-phenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 71449525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).