N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide

C25H23ClN4O4S — CID 19487420

IUPACN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2nc(C)c3c(C4CC4)ccnc32)cc(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H23ClN4O4S/c1-15-24-22(16-3-4-16)9-10-27-25(24)30(29-15)14-23(31)28-18-11-19(34-2)13-21(12-18)35(32,33)20-7-5-17(26)6-8-20/h5-13,16H,3-4,14H2,1-2H3,(H,28,31)
InChIKeySDYYAUZTOLXUIT-UHFFFAOYSA-N
MW511.00 g/mol
LogP4.75
Rot. Bonds7

About N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide

N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide (PubChem CID 19487420) has the molecular formula C25H23ClN4O4S and a molecular weight of 511.00 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide
PubChem CID19487420
Molecular FormulaC25H23ClN4O4S
Molecular Weight511.00 g/mol
Exact Mass510.11
IUPAC NameN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2nc(C)c3c(C4CC4)ccnc32)cc(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H23ClN4O4S/c1-15-24-22(16-3-4-16)9-10-27-25(24)30(29-15)14-23(31)28-18-11-19(34-2)13-21(12-18)35(32,33)20-7-5-17(26)6-8-20/h5-13,16H,3-4,14H2,1-2H3,(H,28,31)
InChIKeySDYYAUZTOLXUIT-UHFFFAOYSA-N
XLogP4.75
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.00
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19485123
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19487340
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-(4-methylphenyl)acetamide
CID 19487334
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516690
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 19487256
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]propanamide
CID 19543847
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 19487211
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522306
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550046
2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
CID 19487356
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19487445

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide (CID 19487420) is N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide is COc1cc(NC(=O)Cn2nc(C)c3c(C4CC4)ccnc32)cc(S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The InChIKey is SDYYAUZTOLXUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O4S/c1-15-24-22(16-3-4-16)9-10-27-25(24)30(29-15)14-23(31)28-18-11-19(34-2)13-21(12-18)35(32,33)20-7-5-17(26)6-8-20/h5-13,16H,3-4,14H2,1-2H3,(H,28,31).
What are the key properties of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide has a molecular weight of 511.00 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-(4-cyclopropyl-3-methylpyrazolo[3,4-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 19487420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).