4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C24H30N6O4S — CID 69006827

IUPAC4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCN(C(C)=O)CC3)c(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cnc21
InChIInChI=1S/C24H30N6O4S/c1-4-30-23-20(15-27-30)22(28-18-9-11-29(12-10-18)16(2)31)21(14-25-23)24(32)26-13-17-5-7-19(8-6-17)35(3,33)34/h5-8,14-15,18H,4,9-13H2,1-3H3,(H,25,28)(H,26,32)
InChIKeyXBVQXABLGPKEFK-UHFFFAOYSA-N
MW498.61 g/mol
LogP2.21
Rot. Bonds7

About 4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 69006827) has the molecular formula C24H30N6O4S and a molecular weight of 498.61 g/mol. Its IUPAC name is 4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID69006827
Molecular FormulaC24H30N6O4S
Molecular Weight498.61 g/mol
Exact Mass498.20
IUPAC Name4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCN(C(C)=O)CC3)c(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cnc21
InChIInChI=1S/C24H30N6O4S/c1-4-30-23-20(15-27-30)22(28-18-9-11-29(12-10-18)16(2)31)21(14-25-23)24(32)26-13-17-5-7-19(8-6-17)35(3,33)34/h5-8,14-15,18H,4,9-13H2,1-3H3,(H,25,28)(H,26,32)
InChIKeyXBVQXABLGPKEFK-UHFFFAOYSA-N
XLogP2.21
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(3-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69006000
4-(cyclohexylamino)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 69011671
4-(cyclobutylamino)-1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69011668
1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone
CID 58629430
1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]-4-[(4-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69012415
4-[(1-carbamoylpiperidin-4-yl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11598296
N-[(4-cyanophenyl)methyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007349
1-ethyl-4-[(4-methoxyiminocyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87654004
4-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007189
N-[(3,4-dimethylphenyl)methyl]-1-ethyl-4-[(4-nitrosocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 90978810
methyl 3-[[5-(benzylcarbamoyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexane-1-carboxylate
CID 58629399
1-ethyl-N-[4-(methylsulfonylmethyl)phenyl]-4-[(4-oxocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69010492

Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 69006827) is 4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NC3CCN(C(C)=O)CC3)c(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cnc21.
What is the InChIKey of 4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is XBVQXABLGPKEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4S/c1-4-30-23-20(15-27-30)22(28-18-9-11-29(12-10-18)16(2)31)21(14-25-23)24(32)26-13-17-5-7-19(8-6-17)35(3,33)34/h5-8,14-15,18H,4,9-13H2,1-3H3,(H,25,28)(H,26,32).
What are the key properties of 4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 498.61 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetylpiperidin-4-yl)amino]-1-ethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 69006827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).