6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C21H18F3N7O — CID 44822712

IUPAC6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)c12
InChIInChI=1S/C21H18F3N7O/c1-11-18-14(8-15(12-3-4-12)27-19(18)30(2)29-11)20(32)28-16-7-13(21(22,23)24)5-6-17(16)31-10-25-9-26-31/h5-10,12H,3-4H2,1-2H3,(H,28,32)
InChIKeyBBPHXKUJBLOJRM-UHFFFAOYSA-N
MW441.42 g/mol
LogP4.01
Rot. Bonds4

About 6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44822712) has the molecular formula C21H18F3N7O and a molecular weight of 441.42 g/mol. Its IUPAC name is 6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44822712
Molecular FormulaC21H18F3N7O
Molecular Weight441.42 g/mol
Exact Mass441.15
IUPAC Name6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)c12
InChIInChI=1S/C21H18F3N7O/c1-11-18-14(8-15(12-3-4-12)27-19(18)30(2)29-11)20(32)28-16-7-13(21(22,23)24)5-6-17(16)31-10-25-9-26-31/h5-10,12H,3-4H2,1-2H3,(H,28,32)
InChIKeyBBPHXKUJBLOJRM-UHFFFAOYSA-N
XLogP4.01
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-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 6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 44822712) is 6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)c12.
What is the InChIKey of 6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BBPHXKUJBLOJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7O/c1-11-18-14(8-15(12-3-4-12)27-19(18)30(2)29-11)20(32)28-16-7-13(21(22,23)24)5-6-17(16)31-10-25-9-26-31/h5-10,12H,3-4H2,1-2H3,(H,28,32).
What are the key properties of 6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 441.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44822712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).