1-[3-[7-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C26H26F3N7O2 — CID 44547158

IUPAC1-[3-[7-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCC(C)(C(=O)N1CCC1)n1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1
InChIInChI=1S/C26H26F3N7O2/c1-25(2,23(37)34-8-4-9-34)36-15-19(13-32-36)17-7-10-35-21(14-30-22(35)12-17)18-5-3-6-20(11-18)33-24(38)31-16-26(27,28)29/h3,5-7,10-15H,4,8-9,16H2,1-2H3,(H2,31,33,38)
InChIKeyLOZJYNGVAVCWQR-UHFFFAOYSA-N
MW525.54 g/mol
LogP4.52
Rot. Bonds6

About 1-[3-[7-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 44547158) has the molecular formula C26H26F3N7O2 and a molecular weight of 525.54 g/mol. Its IUPAC name is 1-[3-[7-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID44547158
Molecular FormulaC26H26F3N7O2
Molecular Weight525.54 g/mol
Exact Mass525.21
IUPAC Name1-[3-[7-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCC(C)(C(=O)N1CCC1)n1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1
InChIInChI=1S/C26H26F3N7O2/c1-25(2,23(37)34-8-4-9-34)36-15-19(13-32-36)17-7-10-35-21(14-30-22(35)12-17)18-5-3-6-20(11-18)33-24(38)31-16-26(27,28)29/h3,5-7,10-15H,4,8-9,16H2,1-2H3,(H2,31,33,38)
InChIKeyLOZJYNGVAVCWQR-UHFFFAOYSA-N
XLogP4.52
TPSA96.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.54
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[7-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 44547158) is 1-[3-[7-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is CC(C)(C(=O)N1CCC1)n1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1.
What is the InChIKey of 1-[3-[7-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is LOZJYNGVAVCWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O2/c1-25(2,23(37)34-8-4-9-34)36-15-19(13-32-36)17-7-10-35-21(14-30-22(35)12-17)18-5-3-6-20(11-18)33-24(38)31-16-26(27,28)29/h3,5-7,10-15H,4,8-9,16H2,1-2H3,(H2,31,33,38).
What are the key properties of 1-[3-[7-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 525.54 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-[1-[1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 44547158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).