3-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propane-1,2-diol

C22H23F3N8O2 — CID 139344548

IUPAC3-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propane-1,2-diol
SMILESOCC(O)CN1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
InChIInChI=1S/C22H23F3N8O2/c23-22(24,25)15-1-2-19-27-9-17(33(19)10-15)21-26-4-3-20(30-21)32-6-5-31(11-16(35)13-34)18(12-32)14-7-28-29-8-14/h1-4,7-10,16,18,34-35H,5-6,11-13H2,(H,28,29)
InChIKeyNYWMCEIYBZFRKC-UHFFFAOYSA-N
MW488.47 g/mol
LogP1.75
Rot. Bonds6

About 3-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propane-1,2-diol

3-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propane-1,2-diol (PubChem CID 139344548) has the molecular formula C22H23F3N8O2 and a molecular weight of 488.47 g/mol. Its IUPAC name is 3-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propane-1,2-diol
PubChem CID139344548
Molecular FormulaC22H23F3N8O2
Molecular Weight488.47 g/mol
Exact Mass488.19
IUPAC Name3-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propane-1,2-diol
SMILESOCC(O)CN1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
InChIInChI=1S/C22H23F3N8O2/c23-22(24,25)15-1-2-19-27-9-17(33(19)10-15)21-26-4-3-20(30-21)32-6-5-31(11-16(35)13-34)18(12-32)14-7-28-29-8-14/h1-4,7-10,16,18,34-35H,5-6,11-13H2,(H,28,29)
InChIKeyNYWMCEIYBZFRKC-UHFFFAOYSA-N
XLogP1.75
TPSA118.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propane-1,2-diol?
The IUPAC name of 3-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propane-1,2-diol (CID 139344548) is 3-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propane-1,2-diol is OCC(O)CN1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.
What is the InChIKey of 3-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propane-1,2-diol?
The InChIKey is NYWMCEIYBZFRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N8O2/c23-22(24,25)15-1-2-19-27-9-17(33(19)10-15)21-26-4-3-20(30-21)32-6-5-31(11-16(35)13-34)18(12-32)14-7-28-29-8-14/h1-4,7-10,16,18,34-35H,5-6,11-13H2,(H,28,29).
What are the key properties of 3-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propane-1,2-diol?
3-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propane-1,2-diol has a molecular weight of 488.47 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propane-1,2-diol is sourced from PubChem (CID 139344548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).