1-[3-[8-(pyridin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C26H19F3N6O2 — CID 11677791

IUPAC1-[3-[8-(pyridin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(-c2cn3ccnc3c(OCc3ccncc3)n2)c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H19F3N6O2/c27-26(28,29)19-4-2-6-21(14-19)33-25(36)32-20-5-1-3-18(13-20)22-15-35-12-11-31-23(35)24(34-22)37-16-17-7-9-30-10-8-17/h1-15H,16H2,(H2,32,33,36)
InChIKeyVYPKGVPXECFUKL-UHFFFAOYSA-N
MW504.47 g/mol
LogP6.03
Rot. Bonds6

About 1-[3-[8-(pyridin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[3-[8-(pyridin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 11677791) has the molecular formula C26H19F3N6O2 and a molecular weight of 504.47 g/mol. Its IUPAC name is 1-[3-[8-(pyridin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-[8-(pyridin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID11677791
Molecular FormulaC26H19F3N6O2
Molecular Weight504.47 g/mol
Exact Mass504.15
IUPAC Name1-[3-[8-(pyridin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(-c2cn3ccnc3c(OCc3ccncc3)n2)c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H19F3N6O2/c27-26(28,29)19-4-2-6-21(14-19)33-25(36)32-20-5-1-3-18(13-20)22-15-35-12-11-31-23(35)24(34-22)37-16-17-7-9-30-10-8-17/h1-15H,16H2,(H2,32,33,36)
InChIKeyVYPKGVPXECFUKL-UHFFFAOYSA-N
XLogP6.03
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.47
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[8-(pyridin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-[8-(pyridin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 11677791) is 1-[3-[8-(pyridin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-[8-(pyridin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-[8-(pyridin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(-c2cn3ccnc3c(OCc3ccncc3)n2)c1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-[8-(pyridin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is VYPKGVPXECFUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N6O2/c27-26(28,29)19-4-2-6-21(14-19)33-25(36)32-20-5-1-3-18(13-20)22-15-35-12-11-31-23(35)24(34-22)37-16-17-7-9-30-10-8-17/h1-15H,16H2,(H2,32,33,36).
What are the key properties of 1-[3-[8-(pyridin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[3-[8-(pyridin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 504.47 g/mol, XLogP of 6.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[8-(pyridin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 11677791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).