4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C26H31N7OS — CID 70238062

IUPAC4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC(C)C3CCCCC3)c(C(=O)NCc3ccc(-c4csnn4)cc3)cnc21
InChIInChI=1S/C26H31N7OS/c1-3-33-25-21(15-29-33)24(30-17(2)19-7-5-4-6-8-19)22(14-27-25)26(34)28-13-18-9-11-20(12-10-18)23-16-35-32-31-23/h9-12,14-17,19H,3-8,13H2,1-2H3,(H,27,30)(H,28,34)
InChIKeyZWFAPNSXBHLYGG-UHFFFAOYSA-N
MW489.65 g/mol
LogP5.28
Rot. Bonds8

About 4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 70238062) has the molecular formula C26H31N7OS and a molecular weight of 489.65 g/mol. Its IUPAC name is 4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID70238062
Molecular FormulaC26H31N7OS
Molecular Weight489.65 g/mol
Exact Mass489.23
IUPAC Name4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC(C)C3CCCCC3)c(C(=O)NCc3ccc(-c4csnn4)cc3)cnc21
InChIInChI=1S/C26H31N7OS/c1-3-33-25-21(15-29-33)24(30-17(2)19-7-5-4-6-8-19)22(14-27-25)26(34)28-13-18-9-11-20(12-10-18)23-16-35-32-31-23/h9-12,14-17,19H,3-8,13H2,1-2H3,(H,27,30)(H,28,34)
InChIKeyZWFAPNSXBHLYGG-UHFFFAOYSA-N
XLogP5.28
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.65
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 139920791
4-[[(1R)-1-cyclohexylethyl]amino]-1-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70239944
N-(2-acetamidoethyl)-4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 70237982
4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238065
4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 59975380
4-(1-cyclohexylethylamino)-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238475
N-(1H-benzimidazol-2-ylmethyl)-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238018
4-(cyclohexylamino)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 69011671
4-[[(1R)-1-cyclohexylethyl]amino]-1-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70239148
N-[(4-cyanophenyl)methyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007349
4-(cyclobutylamino)-1-ethyl-N-[[4-(methanesulfonamido)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69011668
4-[[(1S)-1-cyclohexylethyl]amino]-1-ethyl-N-(2-oxoazepan-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238639

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 70238062) is 4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NC(C)C3CCCCC3)c(C(=O)NCc3ccc(-c4csnn4)cc3)cnc21.
What is the InChIKey of 4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ZWFAPNSXBHLYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7OS/c1-3-33-25-21(15-29-33)24(30-17(2)19-7-5-4-6-8-19)22(14-27-25)26(34)28-13-18-9-11-20(12-10-18)23-16-35-32-31-23/h9-12,14-17,19H,3-8,13H2,1-2H3,(H,27,30)(H,28,34).
What are the key properties of 4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 489.65 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 70238062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).