N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide

C26H23ClN6O2 — CID 19469904

IUPACN-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCOc1ccc(-c2ccnc3c2c(C)nn3CC(=O)Nc2ccc(Cn3cc(Cl)cn3)cc2)cc1
InChIInChI=1S/C26H23ClN6O2/c1-17-25-23(19-5-9-22(35-2)10-6-19)11-12-28-26(25)33(31-17)16-24(34)30-21-7-3-18(4-8-21)14-32-15-20(27)13-29-32/h3-13,15H,14,16H2,1-2H3,(H,30,34)
InChIKeyXYZHSBYHKSYMBL-UHFFFAOYSA-N
MW486.96 g/mol
LogP4.95
Rot. Bonds7

About N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide

N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide (PubChem CID 19469904) has the molecular formula C26H23ClN6O2 and a molecular weight of 486.96 g/mol. Its IUPAC name is N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
PubChem CID19469904
Molecular FormulaC26H23ClN6O2
Molecular Weight486.96 g/mol
Exact Mass486.16
IUPAC NameN-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCOc1ccc(-c2ccnc3c2c(C)nn3CC(=O)Nc2ccc(Cn3cc(Cl)cn3)cc2)cc1
InChIInChI=1S/C26H23ClN6O2/c1-17-25-23(19-5-9-22(35-2)10-6-19)11-12-28-26(25)33(31-17)16-24(34)30-21-7-3-18(4-8-21)14-32-15-20(27)13-29-32/h3-13,15H,14,16H2,1-2H3,(H,30,34)
InChIKeyXYZHSBYHKSYMBL-UHFFFAOYSA-N
XLogP4.95
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.96
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19505987
N-(4-acetamidophenyl)-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19505966
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-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19489246
N-[1-[(4-bromophenyl)methyl]-4-chloropyrazol-3-yl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19469908
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19505956
N-(2,6-dimethylphenyl)-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19506001
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-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19506085
2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19487169
N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19469876
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19487111

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide (CID 19469904) is N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide is COc1ccc(-c2ccnc3c2c(C)nn3CC(=O)Nc2ccc(Cn3cc(Cl)cn3)cc2)cc1.
What is the InChIKey of N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide?
The InChIKey is XYZHSBYHKSYMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O2/c1-17-25-23(19-5-9-22(35-2)10-6-19)11-12-28-26(25)33(31-17)16-24(34)30-21-7-3-18(4-8-21)14-32-15-20(27)13-29-32/h3-13,15H,14,16H2,1-2H3,(H,30,34).
What are the key properties of N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide?
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide has a molecular weight of 486.96 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19469904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).