N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C19H23N5OS — CID 55810400

IUPACN-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCC1CCc2nc(NC(=O)c3cc(C)nc4c3c(C)nn4C)sc2C1
InChIInChI=1S/C19H23N5OS/c1-5-12-6-7-14-15(9-12)26-19(21-14)22-18(25)13-8-10(2)20-17-16(13)11(3)23-24(17)4/h8,12H,5-7,9H2,1-4H3,(H,21,22,25)
InChIKeyNFHQFVYFXFSMGR-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.81
Rot. Bonds3

About N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 55810400) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID55810400
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCC1CCc2nc(NC(=O)c3cc(C)nc4c3c(C)nn4C)sc2C1
InChIInChI=1S/C19H23N5OS/c1-5-12-6-7-14-15(9-12)26-19(21-14)22-18(25)13-8-10(2)20-17-16(13)11(3)23-24(17)4/h8,12H,5-7,9H2,1-4H3,(H,21,22,25)
InChIKeyNFHQFVYFXFSMGR-UHFFFAOYSA-N
XLogP3.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609438
N-(5-bromo-1,3-thiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35337634
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 31766018
6-cyclopropyl-1,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 31266028
N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119713660
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622274
2-(aminomethyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 119713649
(2S)-N-[(6S)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-methylsulfonylpropanamide
CID 94112837
N-[4-(cyclopropylcarbamoylamino)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55531978
N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 154834730
1,3,6-trimethyl-N-(4-propylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 24627619
2,4-dichloro-N-[2-[[2-[(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 55931977

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 55810400) is N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is CCC1CCc2nc(NC(=O)c3cc(C)nc4c3c(C)nn4C)sc2C1.
What is the InChIKey of N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is NFHQFVYFXFSMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-5-12-6-7-14-15(9-12)26-19(21-14)22-18(25)13-8-10(2)20-17-16(13)11(3)23-24(17)4/h8,12H,5-7,9H2,1-4H3,(H,21,22,25).
What are the key properties of N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55810400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).