4-tert-butyl-N-(4-cyano-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfinamide

C23H21N5OS — CID 144875033

IUPAC4-tert-butyl-N-(4-cyano-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfinamide
SMILESCC(C)(C)c1ccc(S(=O)Nc2ccc(C#N)c3cc(-c4ccncc4)nn23)cc1
InChIInChI=1S/C23H21N5OS/c1-23(2,3)18-5-7-19(8-6-18)30(29)27-22-9-4-17(15-24)21-14-20(26-28(21)22)16-10-12-25-13-11-16/h4-14,27H,1-3H3
InChIKeyFQEBLYWLPKCXGC-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.70
Rot. Bonds4

About 4-tert-butyl-N-(4-cyano-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfinamide

4-tert-butyl-N-(4-cyano-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfinamide (PubChem CID 144875033) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-cyano-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfinamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-cyano-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfinamide
PubChem CID144875033
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name4-tert-butyl-N-(4-cyano-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfinamide
SMILESCC(C)(C)c1ccc(S(=O)Nc2ccc(C#N)c3cc(-c4ccncc4)nn23)cc1
InChIInChI=1S/C23H21N5OS/c1-23(2,3)18-5-7-19(8-6-18)30(29)27-22-9-4-17(15-24)21-14-20(26-28(21)22)16-10-12-25-13-11-16/h4-14,27H,1-3H3
InChIKeyFQEBLYWLPKCXGC-UHFFFAOYSA-N
XLogP4.70
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-tert-butyl-N-(4-cyano-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfinamide with MolForge

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Related Compounds

4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide
CID 118200679
N-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide
CID 118197595
4-(3,6-ditert-butylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 138565463
2-amino-6-(4-tert-butylphenyl)pyridine-3-carbonitrile
CID 55045756
4-tert-butyl-N-[4-chloro-2-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-yl]benzenesulfonamide
CID 118200706
2,5-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292650
4-tert-butyl-N-[7-chloro-2-(5-cyano-3-pyridinyl)-1,3-dioxoisoindol-4-yl]benzenesulfinamide
CID 118204729
6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile
CID 62252464
4-tert-butyl-N-(2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide
CID 118200646
1-(2-cyanophenyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 82370945
2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292888
2,5-bis(3-tert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292536

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-cyano-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfinamide?
The IUPAC name of 4-tert-butyl-N-(4-cyano-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfinamide (CID 144875033) is 4-tert-butyl-N-(4-cyano-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfinamide.
What is the SMILES notation for 4-tert-butyl-N-(4-cyano-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfinamide?
The canonical SMILES for 4-tert-butyl-N-(4-cyano-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfinamide is CC(C)(C)c1ccc(S(=O)Nc2ccc(C#N)c3cc(-c4ccncc4)nn23)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-cyano-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfinamide?
The InChIKey is FQEBLYWLPKCXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-23(2,3)18-5-7-19(8-6-18)30(29)27-22-9-4-17(15-24)21-14-20(26-28(21)22)16-10-12-25-13-11-16/h4-14,27H,1-3H3.
What are the key properties of 4-tert-butyl-N-(4-cyano-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfinamide?
4-tert-butyl-N-(4-cyano-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfinamide has a molecular weight of 415.52 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-cyano-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfinamide is sourced from PubChem (CID 144875033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).