3-fluoro-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-3-yl]phenol

C18H22FN3O3S — CID 167984678

IUPAC3-fluoro-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-3-yl]phenol
SMILESO=S(=O)(c1cnn2c1CCCC2)N1CCCC(c2cc(O)cc(F)c2)C1
InChIInChI=1S/C18H22FN3O3S/c19-15-8-14(9-16(23)10-15)13-4-3-6-21(12-13)26(24,25)18-11-20-22-7-2-1-5-17(18)22/h8-11,13,23H,1-7,12H2
InChIKeyVKXUHKIVSJEAHZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.63
Rot. Bonds3

About 3-fluoro-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-3-yl]phenol

3-fluoro-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-3-yl]phenol (PubChem CID 167984678) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-fluoro-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-3-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-3-yl]phenol
PubChem CID167984678
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC Name3-fluoro-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-3-yl]phenol
SMILESO=S(=O)(c1cnn2c1CCCC2)N1CCCC(c2cc(O)cc(F)c2)C1
InChIInChI=1S/C18H22FN3O3S/c19-15-8-14(9-16(23)10-15)13-4-3-6-21(12-13)26(24,25)18-11-20-22-7-2-1-5-17(18)22/h8-11,13,23H,1-7,12H2
InChIKeyVKXUHKIVSJEAHZ-UHFFFAOYSA-N
XLogP2.63
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-6-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797494
7-chloro-6-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797936
1-(3,5-difluorophenyl)sulfonyl-3-(1H-pyrazol-4-yl)piperidine
CID 86769473
3-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97202782
3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97202781
3-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)sulfonylazepane
CID 121146863
3-piperidin-1-ylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 167313705
(3S)-1-(3,5-difluorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine
CID 97055812
3-(4-chlorophenyl)-1-(3,5-difluorophenyl)sulfonylazepane
CID 121146821
(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 94017405
2-[cyclopropylmethyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)amino]acetic acid
CID 166293304
methyl (3S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 79032886

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-3-yl]phenol?
The IUPAC name of 3-fluoro-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-3-yl]phenol (CID 167984678) is 3-fluoro-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-3-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-3-yl]phenol?
The canonical SMILES for 3-fluoro-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-3-yl]phenol is O=S(=O)(c1cnn2c1CCCC2)N1CCCC(c2cc(O)cc(F)c2)C1.
What is the InChIKey of 3-fluoro-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-3-yl]phenol?
The InChIKey is VKXUHKIVSJEAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c19-15-8-14(9-16(23)10-15)13-4-3-6-21(12-13)26(24,25)18-11-20-22-7-2-1-5-17(18)22/h8-11,13,23H,1-7,12H2.
What are the key properties of 3-fluoro-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-3-yl]phenol?
3-fluoro-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-3-yl]phenol has a molecular weight of 379.46 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylsulfonyl)piperidin-3-yl]phenol is sourced from PubChem (CID 167984678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).