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

C23H18F3N9O2 — CID 139344658

IUPAC1,3-oxazol-4-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1cocn1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
InChIInChI=1S/C23H18F3N9O2/c24-23(25,26)15-1-2-19-28-9-17(35(19)10-15)21-27-4-3-20(32-21)33-5-6-34(22(36)16-12-37-13-29-16)18(11-33)14-7-30-31-8-14/h1-4,7-10,12-13,18H,5-6,11H2,(H,30,31)
InChIKeyHVGCYSLUTSADTB-UHFFFAOYSA-N
MW509.45 g/mol
LogP3.22
Rot. Bonds4

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

1,3-oxazol-4-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 139344658) has the molecular formula C23H18F3N9O2 and a molecular weight of 509.45 g/mol. Its IUPAC name is 1,3-oxazol-4-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-oxazol-4-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID139344658
Molecular FormulaC23H18F3N9O2
Molecular Weight509.45 g/mol
Exact Mass509.15
IUPAC Name1,3-oxazol-4-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1cocn1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
InChIInChI=1S/C23H18F3N9O2/c24-23(25,26)15-1-2-19-28-9-17(35(19)10-15)21-27-4-3-20(32-21)33-5-6-34(22(36)16-12-37-13-29-16)18(11-33)14-7-30-31-8-14/h1-4,7-10,12-13,18H,5-6,11H2,(H,30,31)
InChIKeyHVGCYSLUTSADTB-UHFFFAOYSA-N
XLogP3.22
TPSA121.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-4-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of 1,3-oxazol-4-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 139344658) is 1,3-oxazol-4-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-oxazol-4-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for 1,3-oxazol-4-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is O=C(c1cocn1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.
What is the InChIKey of 1,3-oxazol-4-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is HVGCYSLUTSADTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N9O2/c24-23(25,26)15-1-2-19-28-9-17(35(19)10-15)21-27-4-3-20(32-21)33-5-6-34(22(36)16-12-37-13-29-16)18(11-33)14-7-30-31-8-14/h1-4,7-10,12-13,18H,5-6,11H2,(H,30,31).
What are the key properties of 1,3-oxazol-4-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
1,3-oxazol-4-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 509.45 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-4-yl-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 139344658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).