4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide

C23H24ClN3O2S — CID 123487718

IUPAC4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide
SMILESCC(C)(C)C1=CC=C(S(=O)(=O)Nc2ccc(Cl)c3cc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C23H24ClN3O2S/c1-23(2,3)17-9-11-18(12-10-17)30(28,29)26-22-14-13-19(24)21-15-20(25-27(21)22)16-7-5-4-6-8-16/h4-9,11,13-15,26H,10,12H2,1-3H3
InChIKeyOYMXUPNTXHFQJI-UHFFFAOYSA-N
MW441.98 g/mol
LogP6.05
Rot. Bonds4

About 4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide

4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide (PubChem CID 123487718) has the molecular formula C23H24ClN3O2S and a molecular weight of 441.98 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide
PubChem CID123487718
Molecular FormulaC23H24ClN3O2S
Molecular Weight441.98 g/mol
Exact Mass441.13
IUPAC Name4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide
SMILESCC(C)(C)C1=CC=C(S(=O)(=O)Nc2ccc(Cl)c3cc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C23H24ClN3O2S/c1-23(2,3)17-9-11-18(12-10-17)30(28,29)26-22-14-13-19(24)21-15-20(25-27(21)22)16-7-5-4-6-8-16/h4-9,11,13-15,26H,10,12H2,1-3H3
InChIKeyOYMXUPNTXHFQJI-UHFFFAOYSA-N
XLogP6.05
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.98
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[4-chloro-2-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-yl]benzenesulfonamide
CID 118200706
N-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide
CID 118197595
4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide
CID 118200679
4-tert-butyl-N-(2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide
CID 118200646
4-tert-butyl-N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]benzenesulfonamide
CID 3781906
4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide
CID 118200756
4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 11719694
4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 3681501
2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 5163862
N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-7-amine
CID 118200677
2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 3673892
3,4-dichloro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873534

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of 4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide (CID 123487718) is 4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for 4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide is CC(C)(C)C1=CC=C(S(=O)(=O)Nc2ccc(Cl)c3cc(-c4ccccc4)nn23)CC1.
What is the InChIKey of 4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is OYMXUPNTXHFQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2S/c1-23(2,3)17-9-11-18(12-10-17)30(28,29)26-22-14-13-19(24)21-15-20(25-27(21)22)16-7-5-4-6-8-16/h4-9,11,13-15,26H,10,12H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide?
4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide has a molecular weight of 441.98 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide is sourced from PubChem (CID 123487718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).