2-hydroxy-1-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

C22H25F3N8O2 — CID 155922335

IUPAC2-hydroxy-1-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCC(O)C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C1CNNC1
InChIInChI=1S/C22H25F3N8O2/c1-13(34)21(35)32-7-6-31(12-17(32)14-8-28-29-9-14)19-4-5-26-20(30-19)16-10-27-18-3-2-15(11-33(16)18)22(23,24)25/h2-5,10-11,13-14,17,28-29,34H,6-9,12H2,1H3
InChIKeyQDWJQCKUJGYJRP-UHFFFAOYSA-N
MW490.49 g/mol
LogP0.93
Rot. Bonds4

About 2-hydroxy-1-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

2-hydroxy-1-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 155922335) has the molecular formula C22H25F3N8O2 and a molecular weight of 490.49 g/mol. Its IUPAC name is 2-hydroxy-1-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID155922335
Molecular FormulaC22H25F3N8O2
Molecular Weight490.49 g/mol
Exact Mass490.21
IUPAC Name2-hydroxy-1-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCC(O)C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C1CNNC1
InChIInChI=1S/C22H25F3N8O2/c1-13(34)21(35)32-7-6-31(12-17(32)14-8-28-29-9-14)19-4-5-26-20(30-19)16-10-27-18-3-2-15(11-33(16)18)22(23,24)25/h2-5,10-11,13-14,17,28-29,34H,6-9,12H2,1H3
InChIKeyQDWJQCKUJGYJRP-UHFFFAOYSA-N
XLogP0.93
TPSA110.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-hydroxy-1-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 155922335) is 2-hydroxy-1-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-hydroxy-1-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-hydroxy-1-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is CC(O)C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C1CNNC1.
What is the InChIKey of 2-hydroxy-1-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The InChIKey is QDWJQCKUJGYJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N8O2/c1-13(34)21(35)32-7-6-31(12-17(32)14-8-28-29-9-14)19-4-5-26-20(30-19)16-10-27-18-3-2-15(11-33(16)18)22(23,24)25/h2-5,10-11,13-14,17,28-29,34H,6-9,12H2,1H3.
What are the key properties of 2-hydroxy-1-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
2-hydroxy-1-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 490.49 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 155922335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).