3,5-dinitro-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide

C16H14N6O5 — CID 16762475

IUPAC3,5-dinitro-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide
SMILESCc1cc(C)c2c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nn(C)c2n1
InChIInChI=1S/C16H14N6O5/c1-8-4-9(2)17-15-13(8)14(19-20(15)3)18-16(23)10-5-11(21(24)25)7-12(6-10)22(26)27/h4-7H,1-3H3,(H,18,19,23)
InChIKeyZPTDWEGMVXDPKQ-UHFFFAOYSA-N
MW370.33 g/mol
LogP2.65
Rot. Bonds4

About 3,5-dinitro-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide

3,5-dinitro-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide (PubChem CID 16762475) has the molecular formula C16H14N6O5 and a molecular weight of 370.33 g/mol. Its IUPAC name is 3,5-dinitro-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dinitro-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide
PubChem CID16762475
Molecular FormulaC16H14N6O5
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name3,5-dinitro-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide
SMILESCc1cc(C)c2c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nn(C)c2n1
InChIInChI=1S/C16H14N6O5/c1-8-4-9(2)17-15-13(8)14(19-20(15)3)18-16(23)10-5-11(21(24)25)7-12(6-10)22(26)27/h4-7H,1-3H3,(H,18,19,23)
InChIKeyZPTDWEGMVXDPKQ-UHFFFAOYSA-N
XLogP2.65
TPSA146.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3,5-dinitro-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)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 3,5-dinitro-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide?
The IUPAC name of 3,5-dinitro-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide (CID 16762475) is 3,5-dinitro-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 3,5-dinitro-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide?
The canonical SMILES for 3,5-dinitro-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide is Cc1cc(C)c2c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nn(C)c2n1.
What is the InChIKey of 3,5-dinitro-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide?
The InChIKey is ZPTDWEGMVXDPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O5/c1-8-4-9(2)17-15-13(8)14(19-20(15)3)18-16(23)10-5-11(21(24)25)7-12(6-10)22(26)27/h4-7H,1-3H3,(H,18,19,23).
What are the key properties of 3,5-dinitro-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide?
3,5-dinitro-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide has a molecular weight of 370.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 16762475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).