(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone

C23H22FN5O3S2 — CID 16594091

IUPAC(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCn1ncc2c(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc(-c3cccs3)nc21
InChIInChI=1S/C23H22FN5O3S2/c1-2-29-22-19(15-25-29)18(14-20(26-22)21-4-3-13-33-21)23(30)27-9-11-28(12-10-27)34(31,32)17-7-5-16(24)6-8-17/h3-8,13-15H,2,9-12H2,1H3
InChIKeyCRFPXHTVOKVYDR-UHFFFAOYSA-N
MW499.59 g/mol
LogP3.47
Rot. Bonds5

About (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone

(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 16594091) has the molecular formula C23H22FN5O3S2 and a molecular weight of 499.59 g/mol. Its IUPAC name is (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID16594091
Molecular FormulaC23H22FN5O3S2
Molecular Weight499.59 g/mol
Exact Mass499.11
IUPAC Name(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCn1ncc2c(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc(-c3cccs3)nc21
InChIInChI=1S/C23H22FN5O3S2/c1-2-29-22-19(15-25-29)18(14-20(26-22)21-4-3-13-33-21)23(30)27-9-11-28(12-10-27)34(31,32)17-7-5-16(24)6-8-17/h3-8,13-15H,2,9-12H2,1H3
InChIKeyCRFPXHTVOKVYDR-UHFFFAOYSA-N
XLogP3.47
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 24642060
N-cyclopropyl-1-ethyl-N-[(2-fluorophenyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30175201
N-(1-cyclopropylethyl)-1-ethyl-N-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24688333
1-propan-2-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24580455
1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24593141
N-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25398784
(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 35349590
methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
CID 24592343
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46694037
[4-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39571179
tert-butyl 4-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 31122199
(2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 166227451

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 16594091) is (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone is CCn1ncc2c(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc(-c3cccs3)nc21.
What is the InChIKey of (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is CRFPXHTVOKVYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3S2/c1-2-29-22-19(15-25-29)18(14-20(26-22)21-4-3-13-33-21)23(30)27-9-11-28(12-10-27)34(31,32)17-7-5-16(24)6-8-17/h3-8,13-15H,2,9-12H2,1H3.
What are the key properties of (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 499.59 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 16594091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).