4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide

C21H21ClN6O — CID 27693617

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCc1nn(-c2ccc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)cc2)c(C)c1Cl
InChIInChI=1S/C21H21ClN6O/c1-12(2)27-20-16(10-24-27)9-17(11-23-20)25-21(29)15-5-7-18(8-6-15)28-14(4)19(22)13(3)26-28/h5-12H,1-4H3,(H,25,29)
InChIKeyFFLRHAPXJUCGHU-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.72
Rot. Bonds4

About 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide (PubChem CID 27693617) has the molecular formula C21H21ClN6O and a molecular weight of 408.89 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
PubChem CID27693617
Molecular FormulaC21H21ClN6O
Molecular Weight408.89 g/mol
Exact Mass408.15
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCc1nn(-c2ccc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)cc2)c(C)c1Cl
InChIInChI=1S/C21H21ClN6O/c1-12(2)27-20-16(10-24-27)9-17(11-23-20)25-21(29)15-5-7-18(8-6-15)28-14(4)19(22)13(3)26-28/h5-12H,1-4H3,(H,25,29)
InChIKeyFFLRHAPXJUCGHU-UHFFFAOYSA-N
XLogP4.72
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-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 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide (CID 27693617) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide is Cc1nn(-c2ccc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)cc2)c(C)c1Cl.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The InChIKey is FFLRHAPXJUCGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O/c1-12(2)27-20-16(10-24-27)9-17(11-23-20)25-21(29)15-5-7-18(8-6-15)28-14(4)19(22)13(3)26-28/h5-12H,1-4H3,(H,25,29).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide has a molecular weight of 408.89 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 27693617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).