1-[2-(3-aminoprop-1-ynyl)phenyl]-3-ethyl-6-fluoro-N-(5-fluoro-2-pyridinyl)indazole-5-sulfonamide

C23H19F2N5O2S — CID 90110430

IUPAC1-[2-(3-aminoprop-1-ynyl)phenyl]-3-ethyl-6-fluoro-N-(5-fluoro-2-pyridinyl)indazole-5-sulfonamide
SMILESCCc1nn(-c2ccccc2C#CCN)c2cc(F)c(S(=O)(=O)Nc3ccc(F)cn3)cc12
InChIInChI=1S/C23H19F2N5O2S/c1-2-19-17-12-22(33(31,32)29-23-10-9-16(24)14-27-23)18(25)13-21(17)30(28-19)20-8-4-3-6-15(20)7-5-11-26/h3-4,6,8-10,12-14H,2,11,26H2,1H3,(H,27,29)
InChIKeyZDDZESWYBHZCLN-UHFFFAOYSA-N
MW467.50 g/mol
LogP3.37
Rot. Bonds5

About 1-[2-(3-aminoprop-1-ynyl)phenyl]-3-ethyl-6-fluoro-N-(5-fluoro-2-pyridinyl)indazole-5-sulfonamide

1-[2-(3-aminoprop-1-ynyl)phenyl]-3-ethyl-6-fluoro-N-(5-fluoro-2-pyridinyl)indazole-5-sulfonamide (PubChem CID 90110430) has the molecular formula C23H19F2N5O2S and a molecular weight of 467.50 g/mol. Its IUPAC name is 1-[2-(3-aminoprop-1-ynyl)phenyl]-3-ethyl-6-fluoro-N-(5-fluoro-2-pyridinyl)indazole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(3-aminoprop-1-ynyl)phenyl]-3-ethyl-6-fluoro-N-(5-fluoro-2-pyridinyl)indazole-5-sulfonamide
PubChem CID90110430
Molecular FormulaC23H19F2N5O2S
Molecular Weight467.50 g/mol
Exact Mass467.12
IUPAC Name1-[2-(3-aminoprop-1-ynyl)phenyl]-3-ethyl-6-fluoro-N-(5-fluoro-2-pyridinyl)indazole-5-sulfonamide
SMILESCCc1nn(-c2ccccc2C#CCN)c2cc(F)c(S(=O)(=O)Nc3ccc(F)cn3)cc12
InChIInChI=1S/C23H19F2N5O2S/c1-2-19-17-12-22(33(31,32)29-23-10-9-16(24)14-27-23)18(25)13-21(17)30(28-19)20-8-4-3-6-15(20)7-5-11-26/h3-4,6,8-10,12-14H,2,11,26H2,1H3,(H,27,29)
InChIKeyZDDZESWYBHZCLN-UHFFFAOYSA-N
XLogP3.37
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65481870
5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65481643
2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide
CID 60845512
2-(3-aminoprop-1-ynyl)-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60845361
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480491
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480690
3-[1-[2-(3-aminoprop-1-ynyl)phenyl]ethyl]-5-fluoro-2-oxo-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-sulfonamide
CID 123762288
5-amino-2-ethoxy-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65482063
3-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)-4-methylbenzamide
CID 81458680
6-fluoro-N-(5-fluoro-2-pyridinyl)-1H-indazole-5-sulfonamide
CID 163878818
5-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)thiophene-3-carboxamide
CID 79684369
2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 63903663

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminoprop-1-ynyl)phenyl]-3-ethyl-6-fluoro-N-(5-fluoro-2-pyridinyl)indazole-5-sulfonamide?
The IUPAC name of 1-[2-(3-aminoprop-1-ynyl)phenyl]-3-ethyl-6-fluoro-N-(5-fluoro-2-pyridinyl)indazole-5-sulfonamide (CID 90110430) is 1-[2-(3-aminoprop-1-ynyl)phenyl]-3-ethyl-6-fluoro-N-(5-fluoro-2-pyridinyl)indazole-5-sulfonamide.
What is the SMILES notation for 1-[2-(3-aminoprop-1-ynyl)phenyl]-3-ethyl-6-fluoro-N-(5-fluoro-2-pyridinyl)indazole-5-sulfonamide?
The canonical SMILES for 1-[2-(3-aminoprop-1-ynyl)phenyl]-3-ethyl-6-fluoro-N-(5-fluoro-2-pyridinyl)indazole-5-sulfonamide is CCc1nn(-c2ccccc2C#CCN)c2cc(F)c(S(=O)(=O)Nc3ccc(F)cn3)cc12.
What is the InChIKey of 1-[2-(3-aminoprop-1-ynyl)phenyl]-3-ethyl-6-fluoro-N-(5-fluoro-2-pyridinyl)indazole-5-sulfonamide?
The InChIKey is ZDDZESWYBHZCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2S/c1-2-19-17-12-22(33(31,32)29-23-10-9-16(24)14-27-23)18(25)13-21(17)30(28-19)20-8-4-3-6-15(20)7-5-11-26/h3-4,6,8-10,12-14H,2,11,26H2,1H3,(H,27,29).
What are the key properties of 1-[2-(3-aminoprop-1-ynyl)phenyl]-3-ethyl-6-fluoro-N-(5-fluoro-2-pyridinyl)indazole-5-sulfonamide?
1-[2-(3-aminoprop-1-ynyl)phenyl]-3-ethyl-6-fluoro-N-(5-fluoro-2-pyridinyl)indazole-5-sulfonamide has a molecular weight of 467.50 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminoprop-1-ynyl)phenyl]-3-ethyl-6-fluoro-N-(5-fluoro-2-pyridinyl)indazole-5-sulfonamide is sourced from PubChem (CID 90110430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).