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

C22H24ClN5S — CID 144874972

IUPACN-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-7-amine
SMILESCc1c(-c2cc3c(Cl)ccc(NSc4ccc(C(C)(C)C)cc4)n3n2)cnn1C
InChIInChI=1S/C22H24ClN5S/c1-14-17(13-24-27(14)5)19-12-20-18(23)10-11-21(28(20)25-19)26-29-16-8-6-15(7-9-16)22(2,3)4/h6-13,26H,1-5H3
InChIKeyVKGMMOIZLZFPFI-UHFFFAOYSA-N
MW425.99 g/mol
LogP6.11
Rot. Bonds4

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

N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-7-amine (PubChem CID 144874972) has the molecular formula C22H24ClN5S and a molecular weight of 425.99 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-7-amine
PubChem CID144874972
Molecular FormulaC22H24ClN5S
Molecular Weight425.99 g/mol
Exact Mass425.14
IUPAC NameN-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-7-amine
SMILESCc1c(-c2cc3c(Cl)ccc(NSc4ccc(C(C)(C)C)cc4)n3n2)cnn1C
InChIInChI=1S/C22H24ClN5S/c1-14-17(13-24-27(14)5)19-12-20-18(23)10-11-21(28(20)25-19)26-29-16-8-6-15(7-9-16)22(2,3)4/h6-13,26H,1-5H3
InChIKeyVKGMMOIZLZFPFI-UHFFFAOYSA-N
XLogP6.11
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.99
LogP ≤ 56.11
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-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-amine
CID 144874906
N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-7-amine
CID 118200677
4-tert-butyl-N-[4-chloro-2-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-yl]benzenesulfonamide
CID 118200706
5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole
CID 80646470
4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine
CID 175745672
N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 115899747
4-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,5-dimethylpyrazole
CID 19588300
3-(2,5-dichlorophenyl)-6-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45495907
4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide
CID 123487718
1-(4-tert-butylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103851453
N-(4-tert-butylphenyl)sulfanylaniline
CID 145226245
2-chloro-3-(1,5-dimethylpyrazol-4-yl)benzoic acid
CID 163208344

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-7-amine (CID 144874972) is N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-7-amine is Cc1c(-c2cc3c(Cl)ccc(NSc4ccc(C(C)(C)C)cc4)n3n2)cnn1C.
What is the InChIKey of N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is VKGMMOIZLZFPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5S/c1-14-17(13-24-27(14)5)19-12-20-18(23)10-11-21(28(20)25-19)26-29-16-8-6-15(7-9-16)22(2,3)4/h6-13,26H,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-7-amine?
N-(4-tert-butylphenyl)sulfanyl-4-chloro-2-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 425.99 g/mol, XLogP of 6.11, 4 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-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 144874972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).