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

C26H27F3N10O2 — CID 155922333

IUPAC[1-(oxetan-3-yl)pyrazol-4-yl]-[2-pyrazolidin-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)CC1C1CNNC1
InChIInChI=1S/C26H27F3N10O2/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/h1-4,9-12,16,19,21,32-33H,5-8,13-15H2
InChIKeyQMAHHQRNZDEBEH-UHFFFAOYSA-N
MW568.56 g/mol
LogP1.63
Rot. Bonds5

About [1-(oxetan-3-yl)pyrazol-4-yl]-[2-pyrazolidin-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-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 155922333) has the molecular formula C26H27F3N10O2 and a molecular weight of 568.56 g/mol. Its IUPAC name is [1-(oxetan-3-yl)pyrazol-4-yl]-[2-pyrazolidin-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-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID155922333
Molecular FormulaC26H27F3N10O2
Molecular Weight568.56 g/mol
Exact Mass568.23
IUPAC Name[1-(oxetan-3-yl)pyrazol-4-yl]-[2-pyrazolidin-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)CC1C1CNNC1
InChIInChI=1S/C26H27F3N10O2/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/h1-4,9-12,16,19,21,32-33H,5-8,13-15H2
InChIKeyQMAHHQRNZDEBEH-UHFFFAOYSA-N
XLogP1.63
TPSA117.74 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.56
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze [1-(oxetan-3-yl)pyrazol-4-yl]-[2-pyrazolidin-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-pyrazolidin-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-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 155922333) is [1-(oxetan-3-yl)pyrazol-4-yl]-[2-pyrazolidin-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-pyrazolidin-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-pyrazolidin-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)CC1C1CNNC1.
What is the InChIKey of [1-(oxetan-3-yl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is QMAHHQRNZDEBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N10O2/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/h1-4,9-12,16,19,21,32-33H,5-8,13-15H2.
What are the key properties of [1-(oxetan-3-yl)pyrazol-4-yl]-[2-pyrazolidin-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-pyrazolidin-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 568.56 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxetan-3-yl)pyrazol-4-yl]-[2-pyrazolidin-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 155922333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).