N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide

C22H20Cl2N6O — CID 19487366

IUPACN-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2nn(Cc3ccccc3Cl)cc2Cl)c2nccc(C3CC3)c12
InChIInChI=1S/C22H20Cl2N6O/c1-13-20-16(14-6-7-14)8-9-25-22(20)30(27-13)12-19(31)26-21-18(24)11-29(28-21)10-15-4-2-3-5-17(15)23/h2-5,8-9,11,14H,6-7,10,12H2,1H3,(H,26,28,31)
InChIKeyWUGVSNIZXJECNU-UHFFFAOYSA-N
MW455.35 g/mol
LogP4.81
Rot. Bonds6

About N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide

N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide (PubChem CID 19487366) has the molecular formula C22H20Cl2N6O and a molecular weight of 455.35 g/mol. Its IUPAC name is N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide
PubChem CID19487366
Molecular FormulaC22H20Cl2N6O
Molecular Weight455.35 g/mol
Exact Mass454.11
IUPAC NameN-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2nn(Cc3ccccc3Cl)cc2Cl)c2nccc(C3CC3)c12
InChIInChI=1S/C22H20Cl2N6O/c1-13-20-16(14-6-7-14)8-9-25-22(20)30(27-13)12-19(31)26-21-18(24)11-29(28-21)10-15-4-2-3-5-17(15)23/h2-5,8-9,11,14H,6-7,10,12H2,1H3,(H,26,28,31)
InChIKeyWUGVSNIZXJECNU-UHFFFAOYSA-N
XLogP4.81
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19487473
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19487445
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19506098
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 19521057
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-(4-methylphenyl)acetamide
CID 19487334
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19487441
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 19487211
2-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19517227
N-[4-chloro-1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19481970
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19485065
N-(3-chloro-4-methoxyphenyl)-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19487232
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19487278

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide (CID 19487366) is N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide is Cc1nn(CC(=O)Nc2nn(Cc3ccccc3Cl)cc2Cl)c2nccc(C3CC3)c12.
What is the InChIKey of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The InChIKey is WUGVSNIZXJECNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N6O/c1-13-20-16(14-6-7-14)8-9-25-22(20)30(27-13)12-19(31)26-21-18(24)11-29(28-21)10-15-4-2-3-5-17(15)23/h2-5,8-9,11,14H,6-7,10,12H2,1H3,(H,26,28,31).
What are the key properties of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide has a molecular weight of 455.35 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 19487366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).