[(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone

C18H18N4OS — CID 99971779

IUPAC[(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC[C@@H]1c1ccccn1
InChIInChI=1S/C18H18N4OS/c23-18(16-11-15(20-21-16)13-7-10-24-12-13)22-9-4-2-6-17(22)14-5-1-3-8-19-14/h1,3,5,7-8,10-12,17H,2,4,6,9H2,(H,20,21)/t17-/m1/s1
InChIKeyJGIHMJZRQULXFX-QGZVFWFLSA-N
MW338.44 g/mol
LogP3.90
Rot. Bonds3

About [(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone

[(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone (PubChem CID 99971779) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is [(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
PubChem CID99971779
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name[(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC[C@@H]1c1ccccn1
InChIInChI=1S/C18H18N4OS/c23-18(16-11-15(20-21-16)13-7-10-24-12-13)22-9-4-2-6-17(22)14-5-1-3-8-19-14/h1,3,5,7-8,10-12,17H,2,4,6,9H2,(H,20,21)/t17-/m1/s1
InChIKeyJGIHMJZRQULXFX-QGZVFWFLSA-N
XLogP3.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 91788421
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95868392
[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 99977800
6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95871248
4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]-2H-phthalazin-1-one
CID 99953113
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 124874532
N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
CID 91789002
[3-(2-methylphenyl)piperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 70757998
[2-(3-fluorophenyl)azepan-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 70733375
(3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 77084225
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone (CID 99971779) is [(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC[C@@H]1c1ccccn1.
What is the InChIKey of [(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is JGIHMJZRQULXFX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-18(16-11-15(20-21-16)13-7-10-24-12-13)22-9-4-2-6-17(22)14-5-1-3-8-19-14/h1,3,5,7-8,10-12,17H,2,4,6,9H2,(H,20,21)/t17-/m1/s1.
What are the key properties of [(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone?
[(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 338.44 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 99971779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).