1-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea

C24H22F3N5O3 — CID 146672948

IUPAC1-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea
SMILESCOCc1ccc(OC(F)(F)F)c(CNC(=O)Nc2c(-c3ccccc3)nc3c(C)nccn23)c1
InChIInChI=1S/C24H22F3N5O3/c1-15-21-30-20(17-6-4-3-5-7-17)22(32(21)11-10-28-15)31-23(33)29-13-18-12-16(14-34-2)8-9-19(18)35-24(25,26)27/h3-12H,13-14H2,1-2H3,(H2,29,31,33)
InChIKeyKNZNJSNITSGMNY-UHFFFAOYSA-N
MW485.47 g/mol
LogP5.07
Rot. Bonds7

About 1-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea

1-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea (PubChem CID 146672948) has the molecular formula C24H22F3N5O3 and a molecular weight of 485.47 g/mol. Its IUPAC name is 1-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea.

Molecular Properties

Compound Name1-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea
PubChem CID146672948
Molecular FormulaC24H22F3N5O3
Molecular Weight485.47 g/mol
Exact Mass485.17
IUPAC Name1-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea
SMILESCOCc1ccc(OC(F)(F)F)c(CNC(=O)Nc2c(-c3ccccc3)nc3c(C)nccn23)c1
InChIInChI=1S/C24H22F3N5O3/c1-15-21-30-20(17-6-4-3-5-7-17)22(32(21)11-10-28-15)31-23(33)29-13-18-12-16(14-34-2)8-9-19(18)35-24(25,26)27/h3-12H,13-14H2,1-2H3,(H2,29,31,33)
InChIKeyKNZNJSNITSGMNY-UHFFFAOYSA-N
XLogP5.07
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.47
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea?
The IUPAC name of 1-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea (CID 146672948) is 1-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea.
What is the SMILES notation for 1-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea?
The canonical SMILES for 1-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea is COCc1ccc(OC(F)(F)F)c(CNC(=O)Nc2c(-c3ccccc3)nc3c(C)nccn23)c1.
What is the InChIKey of 1-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea?
The InChIKey is KNZNJSNITSGMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3/c1-15-21-30-20(17-6-4-3-5-7-17)22(32(21)11-10-28-15)31-23(33)29-13-18-12-16(14-34-2)8-9-19(18)35-24(25,26)27/h3-12H,13-14H2,1-2H3,(H2,29,31,33).
What are the key properties of 1-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea?
1-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea has a molecular weight of 485.47 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl]-3-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea is sourced from PubChem (CID 146672948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).