4-[4-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1,1-dioxide

C18H17FN4O2S — CID 144901390

IUPAC4-[4-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2ccc(-c3cnn(-c4ncccc4F)c3)cc2)CC1
InChIInChI=1S/C18H17FN4O2S/c19-17-2-1-7-20-18(17)23-13-15(12-21-23)14-3-5-16(6-4-14)22-8-10-26(24,25)11-9-22/h1-7,12-13H,8-11H2
InChIKeyNPZQHABZERCQGF-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.31
Rot. Bonds3

About 4-[4-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1,1-dioxide

4-[4-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 144901390) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[4-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[4-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1,1-dioxide
PubChem CID144901390
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name4-[4-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2ccc(-c3cnn(-c4ncccc4F)c3)cc2)CC1
InChIInChI=1S/C18H17FN4O2S/c19-17-2-1-7-20-18(17)23-13-15(12-21-23)14-3-5-16(6-4-14)22-8-10-26(24,25)11-9-22/h1-7,12-13H,8-11H2
InChIKeyNPZQHABZERCQGF-UHFFFAOYSA-N
XLogP2.31
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]piperazine-1-sulfinic acid
CID 166813587
4-[4-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1-oxide
CID 144901301
1-(3-fluoro-2-pyridinyl)-4-phenylpiperazine
CID 171328537
4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 172880678
2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
CID 114057385
[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanol
CID 61257905
4-[4-[1-(3-fluorophenyl)pyrazol-4-yl]phenyl]thiomorpholine
CID 166813599
2-fluoro-5-[4-[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]pyrazol-1-yl]benzonitrile
CID 144901331
4-fluoro-1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]piperidine-4-carbonitrile
CID 144901421
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-N-methylethanamine
CID 114055861
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-1-(3-fluoro-2-pyridinyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide
CID 118309029
[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172900126

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[4-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1,1-dioxide (CID 144901390) is 4-[4-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[4-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[4-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2ccc(-c3cnn(-c4ncccc4F)c3)cc2)CC1.
What is the InChIKey of 4-[4-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is NPZQHABZERCQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c19-17-2-1-7-20-18(17)23-13-15(12-21-23)14-3-5-16(6-4-14)22-8-10-26(24,25)11-9-22/h1-7,12-13H,8-11H2.
What are the key properties of 4-[4-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
4-[4-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 372.43 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]phenyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 144901390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).