N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-amine

C23H23ClN4OS — CID 144874906

IUPACN-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESCOc1ncccc1-c1cc2c(Cl)ccc(NSc3ccc(C(C)(C)C)cc3)n2n1
InChIInChI=1S/C23H23ClN4OS/c1-23(2,3)15-7-9-16(10-8-15)30-27-21-12-11-18(24)20-14-19(26-28(20)21)17-6-5-13-25-22(17)29-4/h5-14,27H,1-4H3
InChIKeyGUSIRMDJDLSDFI-UHFFFAOYSA-N
MW438.98 g/mol
LogP6.47
Rot. Bonds5

About N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-amine

N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-amine (PubChem CID 144874906) has the molecular formula C23H23ClN4OS and a molecular weight of 438.98 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-amine
PubChem CID144874906
Molecular FormulaC23H23ClN4OS
Molecular Weight438.98 g/mol
Exact Mass438.13
IUPAC NameN-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESCOc1ncccc1-c1cc2c(Cl)ccc(NSc3ccc(C(C)(C)C)cc3)n2n1
InChIInChI=1S/C23H23ClN4OS/c1-23(2,3)15-7-9-16(10-8-15)30-27-21-12-11-18(24)20-14-19(26-28(20)21)17-6-5-13-25-22(17)29-4/h5-14,27H,1-4H3
InChIKeyGUSIRMDJDLSDFI-UHFFFAOYSA-N
XLogP6.47
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.98
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-7-amine
CID 144874972
N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-7-amine
CID 118200677
2-methoxy-3-(3,4,5-trichlorophenyl)pyridine
CID 134637897
2-methoxy-3-pyridin-2-ylpyridine
CID 90702321
4-tert-butyl-N-[4-chloro-2-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-yl]benzenesulfonamide
CID 118200706
4-tert-butyl-N-(4-cyano-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfinamide
CID 144875033
N-(4-tert-butylphenyl)sulfanylaniline
CID 145226245
4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 138620844
2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 35389490
5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide
CID 67982478
4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide
CID 123487718
N-(4-tert-butylphenyl)sulfanyl-4-chloro-3-ethenyl-2-methylaniline;2-[ethenyl(methyl)amino]pyridin-3-ol
CID 144874859

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-amine (CID 144874906) is N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-amine is COc1ncccc1-c1cc2c(Cl)ccc(NSc3ccc(C(C)(C)C)cc3)n2n1.
What is the InChIKey of N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is GUSIRMDJDLSDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4OS/c1-23(2,3)15-7-9-16(10-8-15)30-27-21-12-11-18(24)20-14-19(26-28(20)21)17-6-5-13-25-22(17)29-4/h5-14,27H,1-4H3.
What are the key properties of N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-amine?
N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 438.98 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 144874906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).