(5-chlorothiadiazol-4-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

C18H14ClN5O2S — CID 30909676

IUPAC(5-chlorothiadiazol-4-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCn1ncc2c(C(=O)OCc3nnsc3Cl)cc(-c3ccccc3)nc21
InChIInChI=1S/C18H14ClN5O2S/c1-2-24-17-13(9-20-24)12(8-14(21-17)11-6-4-3-5-7-11)18(25)26-10-15-16(19)27-23-22-15/h3-9H,2,10H2,1H3
InChIKeyXSKKQTPLONLUIZ-UHFFFAOYSA-N
MW399.86 g/mol
LogP3.98
Rot. Bonds5

About (5-chlorothiadiazol-4-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

(5-chlorothiadiazol-4-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 30909676) has the molecular formula C18H14ClN5O2S and a molecular weight of 399.86 g/mol. Its IUPAC name is (5-chlorothiadiazol-4-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name(5-chlorothiadiazol-4-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID30909676
Molecular FormulaC18H14ClN5O2S
Molecular Weight399.86 g/mol
Exact Mass399.06
IUPAC Name(5-chlorothiadiazol-4-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCn1ncc2c(C(=O)OCc3nnsc3Cl)cc(-c3ccccc3)nc21
InChIInChI=1S/C18H14ClN5O2S/c1-2-24-17-13(9-20-24)12(8-14(21-17)11-6-4-3-5-7-11)18(25)26-10-15-16(19)27-23-22-15/h3-9H,2,10H2,1H3
InChIKeyXSKKQTPLONLUIZ-UHFFFAOYSA-N
XLogP3.98
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2-chloro-3-methoxycarbonylphenyl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 166337429
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495564
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693314
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 26060079
2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46696750
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 26059999
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 26059831
[2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495669
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693363
2-(pyridine-4-carbonylamino)ethyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 47585209
N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119405435
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495256

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiadiazol-4-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of (5-chlorothiadiazol-4-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 30909676) is (5-chlorothiadiazol-4-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for (5-chlorothiadiazol-4-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for (5-chlorothiadiazol-4-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is CCn1ncc2c(C(=O)OCc3nnsc3Cl)cc(-c3ccccc3)nc21.
What is the InChIKey of (5-chlorothiadiazol-4-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is XSKKQTPLONLUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2S/c1-2-24-17-13(9-20-24)12(8-14(21-17)11-6-4-3-5-7-11)18(25)26-10-15-16(19)27-23-22-15/h3-9H,2,10H2,1H3.
What are the key properties of (5-chlorothiadiazol-4-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
(5-chlorothiadiazol-4-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 399.86 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiadiazol-4-yl)methyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 30909676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).