4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C22H26ClN5O3S — CID 135253287

IUPAC4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(c(C)nn3CC3CCN(S(C)(=O)=O)CC3)c2Cl)cc1
InChIInChI=1S/C22H26ClN5O3S/c1-14-4-6-17(7-5-14)25-22(29)18-12-24-21-19(20(18)23)15(2)26-28(21)13-16-8-10-27(11-9-16)32(3,30)31/h4-7,12,16H,8-11,13H2,1-3H3,(H,25,29)
InChIKeyCZBKVPNFGRGNRS-UHFFFAOYSA-N
MW476.00 g/mol
LogP3.63
Rot. Bonds5

About 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 135253287) has the molecular formula C22H26ClN5O3S and a molecular weight of 476.00 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID135253287
Molecular FormulaC22H26ClN5O3S
Molecular Weight476.00 g/mol
Exact Mass475.14
IUPAC Name4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(c(C)nn3CC3CCN(S(C)(=O)=O)CC3)c2Cl)cc1
InChIInChI=1S/C22H26ClN5O3S/c1-14-4-6-17(7-5-14)25-22(29)18-12-24-21-19(20(18)23)15(2)26-28(21)13-16-8-10-27(11-9-16)32(3,30)31/h4-7,12,16H,8-11,13H2,1-3H3,(H,25,29)
InChIKeyCZBKVPNFGRGNRS-UHFFFAOYSA-N
XLogP3.63
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253078
4-chloro-3-methyl-N-(4-methylphenyl)-1-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253088
4-chloro-3-methyl-N-(4-methylphenyl)-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253264
4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 145130823
4-chloro-1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253280
4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253071
4-chloro-1-[(1-cyanoborinan-4-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 145130898
4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-pyrazol-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253194
4-chloro-1-cyclopentyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458361
4-chloro-1-[[2-[5-[[4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]-2-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 135257992
4-chloro-N-(4-chlorophenyl)-3-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane
CID 145130695
4-chloro-N,1-bis(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458784

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 135253287) is 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1ccc(NC(=O)c2cnc3c(c(C)nn3CC3CCN(S(C)(=O)=O)CC3)c2Cl)cc1.
What is the InChIKey of 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is CZBKVPNFGRGNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O3S/c1-14-4-6-17(7-5-14)25-22(29)18-12-24-21-19(20(18)23)15(2)26-28(21)13-16-8-10-27(11-9-16)32(3,30)31/h4-7,12,16H,8-11,13H2,1-3H3,(H,25,29).
What are the key properties of 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 476.00 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 135253287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).