(3,5-dimethyl-1,2-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

C25H22F3N9O2 — CID 139344699

IUPAC(3,5-dimethyl-1,2-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
SMILESCc1noc(C)c1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
InChIInChI=1S/C25H22F3N9O2/c1-14-22(15(2)39-34-14)24(38)36-8-7-35(13-19(36)16-9-31-32-10-16)21-5-6-29-23(33-21)18-11-30-20-4-3-17(12-37(18)20)25(26,27)28/h3-6,9-12,19H,7-8,13H2,1-2H3,(H,31,32)
InChIKeyVGYVBCXISQMSDN-UHFFFAOYSA-N
MW537.51 g/mol
LogP3.84
Rot. Bonds4

About (3,5-dimethyl-1,2-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

(3,5-dimethyl-1,2-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 139344699) has the molecular formula C25H22F3N9O2 and a molecular weight of 537.51 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-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 Name(3,5-dimethyl-1,2-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 CID139344699
Molecular FormulaC25H22F3N9O2
Molecular Weight537.51 g/mol
Exact Mass537.18
IUPAC Name(3,5-dimethyl-1,2-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
SMILESCc1noc(C)c1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
InChIInChI=1S/C25H22F3N9O2/c1-14-22(15(2)39-34-14)24(38)36-8-7-35(13-19(36)16-9-31-32-10-16)21-5-6-29-23(33-21)18-11-30-20-4-3-17(12-37(18)20)25(26,27)28/h3-6,9-12,19H,7-8,13H2,1-2H3,(H,31,32)
InChIKeyVGYVBCXISQMSDN-UHFFFAOYSA-N
XLogP3.84
TPSA121.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3,5-dimethyl-1,2-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-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 (3,5-dimethyl-1,2-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 139344699) is (3,5-dimethyl-1,2-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 (3,5-dimethyl-1,2-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 (3,5-dimethyl-1,2-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 Cc1noc(C)c1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.
What is the InChIKey of (3,5-dimethyl-1,2-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 VGYVBCXISQMSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N9O2/c1-14-22(15(2)39-34-14)24(38)36-8-7-35(13-19(36)16-9-31-32-10-16)21-5-6-29-23(33-21)18-11-30-20-4-3-17(12-37(18)20)25(26,27)28/h3-6,9-12,19H,7-8,13H2,1-2H3,(H,31,32).
What are the key properties of (3,5-dimethyl-1,2-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?
(3,5-dimethyl-1,2-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 537.51 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-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 139344699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).