1-[2-[4-(difluoromethoxy)phenyl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-morpholin-4-yl-2-phenylethanone

C24H24F2N4O3S — CID 156875751

IUPAC1-[2-[4-(difluoromethoxy)phenyl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-morpholin-4-yl-2-phenylethanone
SMILESO=C(C(c1ccccc1)N1CCOCC1)N1Cc2cn(Sc3ccc(OC(F)F)cc3)nc2C1
InChIInChI=1S/C24H24F2N4O3S/c25-24(26)33-19-6-8-20(9-7-19)34-30-15-18-14-29(16-21(18)27-30)23(31)22(17-4-2-1-3-5-17)28-10-12-32-13-11-28/h1-9,15,22,24H,10-14,16H2
InChIKeyOBODMCAHTZGLQI-UHFFFAOYSA-N
MW486.54 g/mol
LogP3.96
Rot. Bonds7

About 1-[2-[4-(difluoromethoxy)phenyl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-morpholin-4-yl-2-phenylethanone

1-[2-[4-(difluoromethoxy)phenyl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-morpholin-4-yl-2-phenylethanone (PubChem CID 156875751) has the molecular formula C24H24F2N4O3S and a molecular weight of 486.54 g/mol. Its IUPAC name is 1-[2-[4-(difluoromethoxy)phenyl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name1-[2-[4-(difluoromethoxy)phenyl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-morpholin-4-yl-2-phenylethanone
PubChem CID156875751
Molecular FormulaC24H24F2N4O3S
Molecular Weight486.54 g/mol
Exact Mass486.15
IUPAC Name1-[2-[4-(difluoromethoxy)phenyl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-morpholin-4-yl-2-phenylethanone
SMILESO=C(C(c1ccccc1)N1CCOCC1)N1Cc2cn(Sc3ccc(OC(F)F)cc3)nc2C1
InChIInChI=1S/C24H24F2N4O3S/c25-24(26)33-19-6-8-20(9-7-19)34-30-15-18-14-29(16-21(18)27-30)23(31)22(17-4-2-1-3-5-17)28-10-12-32-13-11-28/h1-9,15,22,24H,10-14,16H2
InChIKeyOBODMCAHTZGLQI-UHFFFAOYSA-N
XLogP3.96
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-morpholin-4-yl-2-phenylethanone?
The IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-morpholin-4-yl-2-phenylethanone (CID 156875751) is 1-[2-[4-(difluoromethoxy)phenyl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for 1-[2-[4-(difluoromethoxy)phenyl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for 1-[2-[4-(difluoromethoxy)phenyl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-morpholin-4-yl-2-phenylethanone is O=C(C(c1ccccc1)N1CCOCC1)N1Cc2cn(Sc3ccc(OC(F)F)cc3)nc2C1.
What is the InChIKey of 1-[2-[4-(difluoromethoxy)phenyl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-morpholin-4-yl-2-phenylethanone?
The InChIKey is OBODMCAHTZGLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O3S/c25-24(26)33-19-6-8-20(9-7-19)34-30-15-18-14-29(16-21(18)27-30)23(31)22(17-4-2-1-3-5-17)28-10-12-32-13-11-28/h1-9,15,22,24H,10-14,16H2.
What are the key properties of 1-[2-[4-(difluoromethoxy)phenyl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-morpholin-4-yl-2-phenylethanone?
1-[2-[4-(difluoromethoxy)phenyl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-morpholin-4-yl-2-phenylethanone has a molecular weight of 486.54 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(difluoromethoxy)phenyl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 156875751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).