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

C25H21ClN6O — CID 19487515

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)c2nccc(-c3ccccc3)c12
InChIInChI=1S/C25H21ClN6O/c1-17-24-21(19-5-3-2-4-6-19)11-13-27-25(24)32(29-17)16-23(33)28-22-12-14-31(30-22)15-18-7-9-20(26)10-8-18/h2-14H,15-16H2,1H3,(H,28,30,33)
InChIKeyFXRZOTFKMUBHPW-UHFFFAOYSA-N
MW456.94 g/mol
LogP4.94
Rot. Bonds6

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

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide (PubChem CID 19487515) has the molecular formula C25H21ClN6O and a molecular weight of 456.94 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
PubChem CID19487515
Molecular FormulaC25H21ClN6O
Molecular Weight456.94 g/mol
Exact Mass456.15
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)c2nccc(-c3ccccc3)c12
InChIInChI=1S/C25H21ClN6O/c1-17-24-21(19-5-3-2-4-6-19)11-13-27-25(24)32(29-17)16-23(33)28-22-12-14-31(30-22)15-18-7-9-20(26)10-8-18/h2-14H,15-16H2,1H3,(H,28,30,33)
InChIKeyFXRZOTFKMUBHPW-UHFFFAOYSA-N
XLogP4.94
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.94
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19485340
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482182
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482110
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19489246
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19487060
2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 19487510
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19505953
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19503718
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19487278
2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 19485119
2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 19487000
N-[4-bromo-1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19487188

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide (CID 19487515) is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide is Cc1nn(CC(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)c2nccc(-c3ccccc3)c12.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The InChIKey is FXRZOTFKMUBHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN6O/c1-17-24-21(19-5-3-2-4-6-19)11-13-27-25(24)32(29-17)16-23(33)28-22-12-14-31(30-22)15-18-7-9-20(26)10-8-18/h2-14H,15-16H2,1H3,(H,28,30,33).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide has a molecular weight of 456.94 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 19487515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).