1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C22H22N6O2S2 — CID 55960932

IUPAC1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC(C(=O)Nc3nccs3)C2)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C22H22N6O2S2/c1-14-10-17(18-11-24-28(19(18)25-14)13-16-5-3-8-31-16)21(30)27-7-2-4-15(12-27)20(29)26-22-23-6-9-32-22/h3,5-6,8-11,15H,2,4,7,12-13H2,1H3,(H,23,26,29)
InChIKeyVERZCGOLZHCRQV-UHFFFAOYSA-N
MW466.59 g/mol
LogP3.80
Rot. Bonds5

About 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 55960932) has the molecular formula C22H22N6O2S2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID55960932
Molecular FormulaC22H22N6O2S2
Molecular Weight466.59 g/mol
Exact Mass466.12
IUPAC Name1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC(C(=O)Nc3nccs3)C2)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C22H22N6O2S2/c1-14-10-17(18-11-24-28(19(18)25-14)13-16-5-3-8-31-16)21(30)27-7-2-4-15(12-27)20(29)26-22-23-6-9-32-22/h3,5-6,8-11,15H,2,4,7,12-13H2,1H3,(H,23,26,29)
InChIKeyVERZCGOLZHCRQV-UHFFFAOYSA-N
XLogP3.80
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 32679602
N-cyclopropyl-2-[4-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-oxoacetamide
CID 55800358
6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55843764
6-methyl-N,1-bis(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32656426
6-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 56556056
(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003
1-(3-methyl-1-benzofuran-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067010
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 96557903
6-methyl-N-(4-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31408232
1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 48692113
3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide
CID 55931373
(3R)-N-(1,3-thiazol-2-yl)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-3-carboxamide
CID 94131967

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 55960932) is 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is Cc1cc(C(=O)N2CCCC(C(=O)Nc3nccs3)C2)c2cnn(Cc3cccs3)c2n1.
What is the InChIKey of 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is VERZCGOLZHCRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S2/c1-14-10-17(18-11-24-28(19(18)25-14)13-16-5-3-8-31-16)21(30)27-7-2-4-15(12-27)20(29)26-22-23-6-9-32-22/h3,5-6,8-11,15H,2,4,7,12-13H2,1H3,(H,23,26,29).
What are the key properties of 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55960932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).