N-[2-oxo-2-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C23H21F3N8O2 — CID 125019902

IUPACN-[2-oxo-2-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC(=O)N1CCCC[C@H]1c1[nH]ncc1-c1ccc(C(F)(F)F)cc1)c1nc2ncccn2n1
InChIInChI=1S/C23H21F3N8O2/c24-23(25,26)15-7-5-14(6-8-15)16-12-29-31-19(16)17-4-1-2-10-33(17)18(35)13-28-21(36)20-30-22-27-9-3-11-34(22)32-20/h3,5-9,11-12,17H,1-2,4,10,13H2,(H,28,36)(H,29,31)/t17-/m0/s1
InChIKeyXZHHNWRHYPXGCU-KRWDZBQOSA-N
MW498.47 g/mol
LogP3.02
Rot. Bonds5

About N-[2-oxo-2-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-oxo-2-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 125019902) has the molecular formula C23H21F3N8O2 and a molecular weight of 498.47 g/mol. Its IUPAC name is N-[2-oxo-2-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID125019902
Molecular FormulaC23H21F3N8O2
Molecular Weight498.47 g/mol
Exact Mass498.17
IUPAC NameN-[2-oxo-2-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC(=O)N1CCCC[C@H]1c1[nH]ncc1-c1ccc(C(F)(F)F)cc1)c1nc2ncccn2n1
InChIInChI=1S/C23H21F3N8O2/c24-23(25,26)15-7-5-14(6-8-15)16-12-29-31-19(16)17-4-1-2-10-33(17)18(35)13-28-21(36)20-30-22-27-9-3-11-34(22)32-20/h3,5-9,11-12,17H,1-2,4,10,13H2,(H,28,36)(H,29,31)/t17-/m0/s1
InChIKeyXZHHNWRHYPXGCU-KRWDZBQOSA-N
XLogP3.02
TPSA121.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-oxo-2-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

4-(pyrimidin-2-ylamino)-1-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]butan-1-one
CID 125018309
1-[3-oxo-3-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]propyl]piperidine-2,6-dione
CID 125012266
[4-(pyrazol-1-ylmethyl)phenyl]-[2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 132773606
[4-(2-methoxyethoxy)phenyl]-[2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 110076044
[3-(imidazol-1-ylmethyl)phenyl]-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 129457542
[4-[2-(dimethylamino)ethoxy]phenyl]-[2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 132780300
[3-[2-(dimethylamino)ethoxy]phenyl]-[2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 132780299
2-(2-fluorophenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92572498
[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 129453410
cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110218063
2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92557662
2-(4-methylphenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92557663

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 125019902) is N-[2-oxo-2-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCC(=O)N1CCCC[C@H]1c1[nH]ncc1-c1ccc(C(F)(F)F)cc1)c1nc2ncccn2n1.
What is the InChIKey of N-[2-oxo-2-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XZHHNWRHYPXGCU-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H21F3N8O2/c24-23(25,26)15-7-5-14(6-8-15)16-12-29-31-19(16)17-4-1-2-10-33(17)18(35)13-28-21(36)20-30-22-27-9-3-11-34(22)32-20/h3,5-9,11-12,17H,1-2,4,10,13H2,(H,28,36)(H,29,31)/t17-/m0/s1.
What are the key properties of N-[2-oxo-2-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-oxo-2-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 498.47 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 125019902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).