N-cyclopropyl-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C17H14Cl2N4O — CID 134794872

IUPACN-cyclopropyl-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NC3CC3)cc(-c3ccc(Cl)cc3Cl)nc21
InChIInChI=1S/C17H14Cl2N4O/c1-23-16-13(8-20-23)12(17(24)21-10-3-4-10)7-15(22-16)11-5-2-9(18)6-14(11)19/h2,5-8,10H,3-4H2,1H3,(H,21,24)
InChIKeyARQNFUPHJQLRKO-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.83
Rot. Bonds3

About N-cyclopropyl-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

N-cyclopropyl-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134794872) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is N-cyclopropyl-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134794872
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC NameN-cyclopropyl-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NC3CC3)cc(-c3ccc(Cl)cc3Cl)nc21
InChIInChI=1S/C17H14Cl2N4O/c1-23-16-13(8-20-23)12(17(24)21-10-3-4-10)7-15(22-16)11-5-2-9(18)6-14(11)19/h2,5-8,10H,3-4H2,1H3,(H,21,24)
InChIKeyARQNFUPHJQLRKO-UHFFFAOYSA-N
XLogP3.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134794872) is N-cyclopropyl-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NC3CC3)cc(-c3ccc(Cl)cc3Cl)nc21.
What is the InChIKey of N-cyclopropyl-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ARQNFUPHJQLRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-23-16-13(8-20-23)12(17(24)21-10-3-4-10)7-15(22-16)11-5-2-9(18)6-14(11)19/h2,5-8,10H,3-4H2,1H3,(H,21,24).
What are the key properties of N-cyclopropyl-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-cyclopropyl-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 361.23 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134794872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).