N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2,5-trimethylbenzenesulfonamide

C18H17N5O2S — CID 57395408

IUPACN-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2,5-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)/N=C/c2cnn3ccc(C#N)cc23)c1
InChIInChI=1S/C18H17N5O2S/c1-13-4-5-14(2)18(8-13)26(24,25)22(3)20-11-16-12-21-23-7-6-15(10-19)9-17(16)23/h4-9,11-12H,1-3H3/b20-11+
InChIKeyFTMVTSQZJABEAO-RGVLZGJSSA-N
MW367.43 g/mol
LogP2.48
Rot. Bonds4

About N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2,5-trimethylbenzenesulfonamide

N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2,5-trimethylbenzenesulfonamide (PubChem CID 57395408) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2,5-trimethylbenzenesulfonamide
PubChem CID57395408
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2,5-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)/N=C/c2cnn3ccc(C#N)cc23)c1
InChIInChI=1S/C18H17N5O2S/c1-13-4-5-14(2)18(8-13)26(24,25)22(3)20-11-16-12-21-23-7-6-15(10-19)9-17(16)23/h4-9,11-12H,1-3H3/b20-11+
InChIKeyFTMVTSQZJABEAO-RGVLZGJSSA-N
XLogP2.48
TPSA90.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-(4-methylphenyl)-4-cyano-1H-pyrazol-1-yl)benzenesulfonamide
CID 25227548
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 25172062
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methyl-5-nitrobenzenesulfonamide
CID 25172477
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-ethyl-2-methyl-5-nitrobenzenesulfonamide
CID 25172661
3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490570
3-[4-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490574
3-[2-cyano-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490675
3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490723
3-[4-[5-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490782
2-methyl-3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490783
Pyrazolyl benzenesulfonamide derivative, 9a
CID 25227547
4-(4-Cyano-5-p-tolyl-pyrazol-1-yl)-benzenesulfonamide
CID 10664738

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2,5-trimethylbenzenesulfonamide?
The IUPAC name of N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2,5-trimethylbenzenesulfonamide (CID 57395408) is N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2,5-trimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(C)/N=C/c2cnn3ccc(C#N)cc23)c1.
What is the InChIKey of N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2,5-trimethylbenzenesulfonamide?
The InChIKey is FTMVTSQZJABEAO-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-13-4-5-14(2)18(8-13)26(24,25)22(3)20-11-16-12-21-23-7-6-15(10-19)9-17(16)23/h4-9,11-12H,1-3H3/b20-11+.
What are the key properties of N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2,5-trimethylbenzenesulfonamide?
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2,5-trimethylbenzenesulfonamide has a molecular weight of 367.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 57395408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).