4-[(E)-[4-cyclopropylimino-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C22H21F3N10O2 — CID 137317519

IUPAC4-[(E)-[4-cyclopropylimino-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)nc(N4CCN(c5ncccc5C(F)(F)F)CC4)nc23)[nH]1
InChIInChI=1S/C22H21F3N10O2/c23-22(24,25)14-2-1-5-26-17(14)33-6-8-34(9-7-33)19-30-16-12(10-15-18(36)31-21(37)29-15)11-27-35(16)20(32-19)28-13-3-4-13/h1-2,5,10-11,13,36H,3-4,6-9H2,(H2,29,31,37)/b12-10+,28-20+
InChIKeyIQFXUVUJTAXFDM-HLVAAXJRSA-N
MW514.47 g/mol
LogP0.20
Rot. Bonds4

About 4-[(E)-[4-cyclopropylimino-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[(E)-[4-cyclopropylimino-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137317519) has the molecular formula C22H21F3N10O2 and a molecular weight of 514.47 g/mol. Its IUPAC name is 4-[(E)-[4-cyclopropylimino-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(E)-[4-cyclopropylimino-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID137317519
Molecular FormulaC22H21F3N10O2
Molecular Weight514.47 g/mol
Exact Mass514.18
IUPAC Name4-[(E)-[4-cyclopropylimino-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)nc(N4CCN(c5ncccc5C(F)(F)F)CC4)nc23)[nH]1
InChIInChI=1S/C22H21F3N10O2/c23-22(24,25)14-2-1-5-26-17(14)33-6-8-34(9-7-33)19-30-16-12(10-15-18(36)31-21(37)29-15)11-27-35(16)20(32-19)28-13-3-4-13/h1-2,5,10-11,13,36H,3-4,6-9H2,(H2,29,31,37)/b12-10+,28-20+
InChIKeyIQFXUVUJTAXFDM-HLVAAXJRSA-N
XLogP0.20
TPSA143.69 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.47
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-[(E)-[4-cyclopropylimino-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[4-cyclopropylimino-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(E)-[4-cyclopropylimino-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137317519) is 4-[(E)-[4-cyclopropylimino-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(E)-[4-cyclopropylimino-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(E)-[4-cyclopropylimino-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is O=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)nc(N4CCN(c5ncccc5C(F)(F)F)CC4)nc23)[nH]1.
What is the InChIKey of 4-[(E)-[4-cyclopropylimino-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is IQFXUVUJTAXFDM-HLVAAXJRSA-N. The full InChI is InChI=1S/C22H21F3N10O2/c23-22(24,25)14-2-1-5-26-17(14)33-6-8-34(9-7-33)19-30-16-12(10-15-18(36)31-21(37)29-15)11-27-35(16)20(32-19)28-13-3-4-13/h1-2,5,10-11,13,36H,3-4,6-9H2,(H2,29,31,37)/b12-10+,28-20+.
What are the key properties of 4-[(E)-[4-cyclopropylimino-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[(E)-[4-cyclopropylimino-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 514.47 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[4-cyclopropylimino-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137317519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).