1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide

C18H20BrN5O3S2 — CID 42939650

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(Br)s4)C3)cc12
InChIInChI=1S/C18H20BrN5O3S2/c1-11-14-8-13(9-20-17(14)23(2)22-11)21-18(25)12-4-3-7-24(10-12)29(26,27)16-6-5-15(19)28-16/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,21,25)
InChIKeyQFDRHWNXGGQAPZ-UHFFFAOYSA-N
MW498.43 g/mol
LogP3.14
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide (PubChem CID 42939650) has the molecular formula C18H20BrN5O3S2 and a molecular weight of 498.43 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide
PubChem CID42939650
Molecular FormulaC18H20BrN5O3S2
Molecular Weight498.43 g/mol
Exact Mass497.02
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(Br)s4)C3)cc12
InChIInChI=1S/C18H20BrN5O3S2/c1-11-14-8-13(9-20-17(14)23(2)22-11)21-18(25)12-4-3-7-24(10-12)29(26,27)16-6-5-15(19)28-16/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,21,25)
InChIKeyQFDRHWNXGGQAPZ-UHFFFAOYSA-N
XLogP3.14
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24629349
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55526743
1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 60519424
(3R)-1-(5-bromothiophen-2-yl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 32622470
1-(5-bromothiophen-2-yl)sulfonyl-N-(6-imidazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 55580519
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 51334705
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608361
1-(2,5-dichlorophenyl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-4-carboxamide
CID 55515782
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 24630317
ethyl (3S)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 1319201
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 78838767
ethyl (3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 1319204

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide (CID 42939650) is 1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide is Cc1nn(C)c2ncc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(Br)s4)C3)cc12.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide?
The InChIKey is QFDRHWNXGGQAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O3S2/c1-11-14-8-13(9-20-17(14)23(2)22-11)21-18(25)12-4-3-7-24(10-12)29(26,27)16-6-5-15(19)28-16/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,21,25).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide has a molecular weight of 498.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 42939650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).