[5-(2,3-dihydro-1H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-4-pyridinyl)-4-hydroxypiperidin-1-yl]methanone

C18H19FN4O2S — CID 118057175

IUPAC[5-(2,3-dihydro-1H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-4-pyridinyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1csc(C2=CNNC2)c1)N1CCC(O)(c2ccncc2F)CC1
InChIInChI=1S/C18H19FN4O2S/c19-15-10-20-4-1-14(15)18(25)2-5-23(6-3-18)17(24)12-7-16(26-11-12)13-8-21-22-9-13/h1,4,7-8,10-11,21-22,25H,2-3,5-6,9H2
InChIKeyBOTXRFLVYPXEAT-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.85
Rot. Bonds3

About [5-(2,3-dihydro-1H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-4-pyridinyl)-4-hydroxypiperidin-1-yl]methanone

[5-(2,3-dihydro-1H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-4-pyridinyl)-4-hydroxypiperidin-1-yl]methanone (PubChem CID 118057175) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is [5-(2,3-dihydro-1H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-4-pyridinyl)-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2,3-dihydro-1H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-4-pyridinyl)-4-hydroxypiperidin-1-yl]methanone
PubChem CID118057175
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name[5-(2,3-dihydro-1H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-4-pyridinyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1csc(C2=CNNC2)c1)N1CCC(O)(c2ccncc2F)CC1
InChIInChI=1S/C18H19FN4O2S/c19-15-10-20-4-1-14(15)18(25)2-5-23(6-3-18)17(24)12-7-16(26-11-12)13-8-21-22-9-13/h1,4,7-8,10-11,21-22,25H,2-3,5-6,9H2
InChIKeyBOTXRFLVYPXEAT-UHFFFAOYSA-N
XLogP1.85
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 51036130
1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol
CID 104737486
3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol
CID 104737517
4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol
CID 104737480
1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63209441
[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 51036532
(4-fluoro-3-methylphenyl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 135099460
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone
CID 166282515
[4-(3-fluoropyridine-4-carbonyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 137338139
4-(2,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylic acid
CID 68622399
(4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 121184189
(3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 16668120

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dihydro-1H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-4-pyridinyl)-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of [5-(2,3-dihydro-1H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-4-pyridinyl)-4-hydroxypiperidin-1-yl]methanone (CID 118057175) is [5-(2,3-dihydro-1H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-4-pyridinyl)-4-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for [5-(2,3-dihydro-1H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-4-pyridinyl)-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for [5-(2,3-dihydro-1H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-4-pyridinyl)-4-hydroxypiperidin-1-yl]methanone is O=C(c1csc(C2=CNNC2)c1)N1CCC(O)(c2ccncc2F)CC1.
What is the InChIKey of [5-(2,3-dihydro-1H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-4-pyridinyl)-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is BOTXRFLVYPXEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c19-15-10-20-4-1-14(15)18(25)2-5-23(6-3-18)17(24)12-7-16(26-11-12)13-8-21-22-9-13/h1,4,7-8,10-11,21-22,25H,2-3,5-6,9H2.
What are the key properties of [5-(2,3-dihydro-1H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-4-pyridinyl)-4-hydroxypiperidin-1-yl]methanone?
[5-(2,3-dihydro-1H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-4-pyridinyl)-4-hydroxypiperidin-1-yl]methanone has a molecular weight of 374.44 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dihydro-1H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-4-pyridinyl)-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 118057175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).