1-(4-tert-butylphenyl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide

C25H33N5O3S — CID 46653560

IUPAC1-(4-tert-butylphenyl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)cnc21
InChIInChI=1S/C25H33N5O3S/c1-17(2)30-23-19(15-27-30)14-21(16-26-23)28-24(31)18-10-12-29(13-11-18)34(32,33)22-8-6-20(7-9-22)25(3,4)5/h6-9,14-18H,10-13H2,1-5H3,(H,28,31)
InChIKeyXDAHRINCSDBPOF-UHFFFAOYSA-N
MW483.64 g/mol
LogP4.35
Rot. Bonds5

About 1-(4-tert-butylphenyl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide

1-(4-tert-butylphenyl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide (PubChem CID 46653560) has the molecular formula C25H33N5O3S and a molecular weight of 483.64 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
PubChem CID46653560
Molecular FormulaC25H33N5O3S
Molecular Weight483.64 g/mol
Exact Mass483.23
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)cnc21
InChIInChI=1S/C25H33N5O3S/c1-17(2)30-23-19(15-27-30)14-21(16-26-23)28-24(31)18-10-12-29(13-11-18)34(32,33)22-8-6-20(7-9-22)25(3,4)5/h6-9,14-18H,10-13H2,1-5H3,(H,28,31)
InChIKeyXDAHRINCSDBPOF-UHFFFAOYSA-N
XLogP4.35
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.64
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26956251
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
CID 61258310
1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
CID 26956252
1-(4-tert-butylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 35028092
methyl 4-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 26583106
1-(4-tert-butylphenyl)sulfonyl-N-(4-cyanophenyl)piperidine-4-carboxamide
CID 26289870
1-(4-tert-butylphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide
CID 27167039
1-(4-tert-butylphenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 26681397
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55477863
1-(4-tert-butylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 26068390
(3S)-6-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 27698154
2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopentane-1-carboxamide
CID 64822861

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide (CID 46653560) is 1-(4-tert-butylphenyl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide is CC(C)n1ncc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)cnc21.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide?
The InChIKey is XDAHRINCSDBPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3S/c1-17(2)30-23-19(15-27-30)14-21(16-26-23)28-24(31)18-10-12-29(13-11-18)34(32,33)22-8-6-20(7-9-22)25(3,4)5/h6-9,14-18H,10-13H2,1-5H3,(H,28,31).
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide?
1-(4-tert-butylphenyl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide has a molecular weight of 483.64 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46653560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).