[1-(oxetan-3-yl)pyrazol-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

C26H23F3N10O2 — CID 139344827

IUPAC[1-(oxetan-3-yl)pyrazol-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(c1cnn(C2COC2)c1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
InChIInChI=1S/C26H23F3N10O2/c27-26(28,29)18-1-2-22-31-10-20(38(22)12-18)24-30-4-3-23(35-24)36-5-6-37(21(13-36)16-7-32-33-8-16)25(40)17-9-34-39(11-17)19-14-41-15-19/h1-4,7-12,19,21H,5-6,13-15H2,(H,32,33)
InChIKeyHSKACJAPXWHBNO-UHFFFAOYSA-N
MW564.53 g/mol
LogP3.00
Rot. Bonds5

About [1-(oxetan-3-yl)pyrazol-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-(oxetan-3-yl)pyrazol-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 139344827) has the molecular formula C26H23F3N10O2 and a molecular weight of 564.53 g/mol. Its IUPAC name is [1-(oxetan-3-yl)pyrazol-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[1-(oxetan-3-yl)pyrazol-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 CID139344827
Molecular FormulaC26H23F3N10O2
Molecular Weight564.53 g/mol
Exact Mass564.20
IUPAC Name[1-(oxetan-3-yl)pyrazol-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(c1cnn(C2COC2)c1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
InChIInChI=1S/C26H23F3N10O2/c27-26(28,29)18-1-2-22-31-10-20(38(22)12-18)24-30-4-3-23(35-24)36-5-6-37(21(13-36)16-7-32-33-8-16)25(40)17-9-34-39(11-17)19-14-41-15-19/h1-4,7-12,19,21H,5-6,13-15H2,(H,32,33)
InChIKeyHSKACJAPXWHBNO-UHFFFAOYSA-N
XLogP3.00
TPSA122.36 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [1-(oxetan-3-yl)pyrazol-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 [1-(oxetan-3-yl)pyrazol-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-(oxetan-3-yl)pyrazol-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 139344827) is [1-(oxetan-3-yl)pyrazol-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-(oxetan-3-yl)pyrazol-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-(oxetan-3-yl)pyrazol-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(c1cnn(C2COC2)c1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.
What is the InChIKey of [1-(oxetan-3-yl)pyrazol-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 HSKACJAPXWHBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N10O2/c27-26(28,29)18-1-2-22-31-10-20(38(22)12-18)24-30-4-3-23(35-24)36-5-6-37(21(13-36)16-7-32-33-8-16)25(40)17-9-34-39(11-17)19-14-41-15-19/h1-4,7-12,19,21H,5-6,13-15H2,(H,32,33).
What are the key properties of [1-(oxetan-3-yl)pyrazol-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-(oxetan-3-yl)pyrazol-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 564.53 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxetan-3-yl)pyrazol-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 139344827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).