1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea

C26H19F3N6O3S — CID 74767169

IUPAC1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)Nc1c(-c2ccccc2)nc2c(C(F)(F)F)cccn12
InChIInChI=1S/C26H19F3N6O3S/c27-26(28,29)19-12-7-13-34-23(19)30-21(16-8-3-1-4-9-16)24(34)32-25(36)31-22-18-14-39(37,38)15-20(18)33-35(22)17-10-5-2-6-11-17/h1-13H,14-15H2,(H2,31,32,36)
InChIKeyPFZHSCBHAWIVPM-UHFFFAOYSA-N
MW552.54 g/mol
LogP5.28
Rot. Bonds4

About 1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea

1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea (PubChem CID 74767169) has the molecular formula C26H19F3N6O3S and a molecular weight of 552.54 g/mol. Its IUPAC name is 1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea.

Molecular Properties

Compound Name1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea
PubChem CID74767169
Molecular FormulaC26H19F3N6O3S
Molecular Weight552.54 g/mol
Exact Mass552.12
IUPAC Name1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)Nc1c(-c2ccccc2)nc2c(C(F)(F)F)cccn12
InChIInChI=1S/C26H19F3N6O3S/c27-26(28,29)19-12-7-13-34-23(19)30-21(16-8-3-1-4-9-16)24(34)32-25(36)31-22-18-14-39(37,38)15-20(18)33-35(22)17-10-5-2-6-11-17/h1-13H,14-15H2,(H2,31,32,36)
InChIKeyPFZHSCBHAWIVPM-UHFFFAOYSA-N
XLogP5.28
TPSA110.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.54
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea?
The IUPAC name of 1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea (CID 74767169) is 1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea.
What is the SMILES notation for 1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea?
The canonical SMILES for 1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea is O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)Nc1c(-c2ccccc2)nc2c(C(F)(F)F)cccn12.
What is the InChIKey of 1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea?
The InChIKey is PFZHSCBHAWIVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N6O3S/c27-26(28,29)19-12-7-13-34-23(19)30-21(16-8-3-1-4-9-16)24(34)32-25(36)31-22-18-14-39(37,38)15-20(18)33-35(22)17-10-5-2-6-11-17/h1-13H,14-15H2,(H2,31,32,36).
What are the key properties of 1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea?
1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea has a molecular weight of 552.54 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-[2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]urea is sourced from PubChem (CID 74767169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).