(6-fluoro-1H-indazol-3-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone

C16H17FN6O3S — CID 90592250

IUPAC(6-fluoro-1H-indazol-3-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
SMILESCn1cnnc1S(=O)(=O)C1CCN(C(=O)c2n[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C16H17FN6O3S/c1-22-9-18-21-16(22)27(25,26)11-4-6-23(7-5-11)15(24)14-12-3-2-10(17)8-13(12)19-20-14/h2-3,8-9,11H,4-7H2,1H3,(H,19,20)
InChIKeyOVHDDQTXJIPIFT-UHFFFAOYSA-N
MW392.42 g/mol
LogP0.91
Rot. Bonds3

About (6-fluoro-1H-indazol-3-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone

(6-fluoro-1H-indazol-3-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone (PubChem CID 90592250) has the molecular formula C16H17FN6O3S and a molecular weight of 392.42 g/mol. Its IUPAC name is (6-fluoro-1H-indazol-3-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-1H-indazol-3-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
PubChem CID90592250
Molecular FormulaC16H17FN6O3S
Molecular Weight392.42 g/mol
Exact Mass392.11
IUPAC Name(6-fluoro-1H-indazol-3-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
SMILESCn1cnnc1S(=O)(=O)C1CCN(C(=O)c2n[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C16H17FN6O3S/c1-22-9-18-21-16(22)27(25,26)11-4-6-23(7-5-11)15(24)14-12-3-2-10(17)8-13(12)19-20-14/h2-3,8-9,11H,4-7H2,1H3,(H,19,20)
InChIKeyOVHDDQTXJIPIFT-UHFFFAOYSA-N
XLogP0.91
TPSA113.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-indazol-3-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone?
The IUPAC name of (6-fluoro-1H-indazol-3-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone (CID 90592250) is (6-fluoro-1H-indazol-3-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-1H-indazol-3-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-1H-indazol-3-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone is Cn1cnnc1S(=O)(=O)C1CCN(C(=O)c2n[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of (6-fluoro-1H-indazol-3-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone?
The InChIKey is OVHDDQTXJIPIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O3S/c1-22-9-18-21-16(22)27(25,26)11-4-6-23(7-5-11)15(24)14-12-3-2-10(17)8-13(12)19-20-14/h2-3,8-9,11H,4-7H2,1H3,(H,19,20).
What are the key properties of (6-fluoro-1H-indazol-3-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone?
(6-fluoro-1H-indazol-3-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone has a molecular weight of 392.42 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-indazol-3-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90592250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).