(2R)-2-imidazol-1-yl-1-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one

C20H20F3N5OS — CID 92551154

IUPAC(2R)-2-imidazol-1-yl-1-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1)n1ccnc1
InChIInChI=1S/C20H20F3N5OS/c1-13(28-8-6-24-12-28)19(29)27-7-2-4-14(11-27)18-25-15(16-5-3-9-30-16)10-17(26-18)20(21,22)23/h3,5-6,8-10,12-14H,2,4,7,11H2,1H3/t13-,14-/m1/s1
InChIKeySXUDVIRELYDJDL-ZIAGYGMSSA-N
MW435.48 g/mol
LogP4.39
Rot. Bonds4

About (2R)-2-imidazol-1-yl-1-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one

(2R)-2-imidazol-1-yl-1-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 92551154) has the molecular formula C20H20F3N5OS and a molecular weight of 435.48 g/mol. Its IUPAC name is (2R)-2-imidazol-1-yl-1-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-imidazol-1-yl-1-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID92551154
Molecular FormulaC20H20F3N5OS
Molecular Weight435.48 g/mol
Exact Mass435.13
IUPAC Name(2R)-2-imidazol-1-yl-1-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1)n1ccnc1
InChIInChI=1S/C20H20F3N5OS/c1-13(28-8-6-24-12-28)19(29)27-7-2-4-14(11-27)18-25-15(16-5-3-9-30-16)10-17(26-18)20(21,22)23/h3,5-6,8-10,12-14H,2,4,7,11H2,1H3/t13-,14-/m1/s1
InChIKeySXUDVIRELYDJDL-ZIAGYGMSSA-N
XLogP4.39
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-2-imidazol-1-yl-1-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-(4-methylpiperazin-1-yl)-N-[6-(pyridin-2-yl)-2-(thiophen-2-yl)pyrimidin-4-yl]acetamide
CID 24768405
1-[4-[2-[(4-Fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 44171242
(S)-1-ethyl-3-(1-(4-(thiophen-2-yl)pyrimidin-2-yl)piperidin-3-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 54581236
[2-(7-Methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 91800754
1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide
CID 134793337
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
CID 134793463
N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 135234242
N-(3-Imidazol-1-yl-propyl)-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 650566
2-(1H-imidazol-1-yl)-4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine
CID 4232102
7-(3-Fluorophenyl)-2-(2-thienyl)imidazo[1,2-A]pyrazin-8(7H)-one
CID 53036472
7-(4-Fluorophenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one
CID 53036476
7-(3,4-Difluorophenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one
CID 53036500

Frequently Asked Questions

What is the IUPAC name of (2R)-2-imidazol-1-yl-1-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-imidazol-1-yl-1-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one (CID 92551154) is (2R)-2-imidazol-1-yl-1-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-imidazol-1-yl-1-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-imidazol-1-yl-1-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one is C[C@H](C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1)n1ccnc1.
What is the InChIKey of (2R)-2-imidazol-1-yl-1-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is SXUDVIRELYDJDL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H20F3N5OS/c1-13(28-8-6-24-12-28)19(29)27-7-2-4-14(11-27)18-25-15(16-5-3-9-30-16)10-17(26-18)20(21,22)23/h3,5-6,8-10,12-14H,2,4,7,11H2,1H3/t13-,14-/m1/s1.
What are the key properties of (2R)-2-imidazol-1-yl-1-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one?
(2R)-2-imidazol-1-yl-1-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 435.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-imidazol-1-yl-1-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92551154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).