2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one

C20H22F2N4O4 — CID 57389625

IUPAC2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one
SMILESCn1c(CC(=O)N2CCc3c(OC(F)F)cccc32)nc(N2CCOCC2)cc1=O
InChIInChI=1S/C20H22F2N4O4/c1-24-16(23-17(12-18(24)27)25-7-9-29-10-8-25)11-19(28)26-6-5-13-14(26)3-2-4-15(13)30-20(21)22/h2-4,12,20H,5-11H2,1H3
InChIKeyHHQFTMCALJOUMA-UHFFFAOYSA-N
MW420.42 g/mol
LogP1.35
Rot. Bonds5

About 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one

2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one (PubChem CID 57389625) has the molecular formula C20H22F2N4O4 and a molecular weight of 420.42 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one
PubChem CID57389625
Molecular FormulaC20H22F2N4O4
Molecular Weight420.42 g/mol
Exact Mass420.16
IUPAC Name2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one
SMILESCn1c(CC(=O)N2CCc3c(OC(F)F)cccc32)nc(N2CCOCC2)cc1=O
InChIInChI=1S/C20H22F2N4O4/c1-24-16(23-17(12-18(24)27)25-7-9-29-10-8-25)11-19(28)26-6-5-13-14(26)3-2-4-15(13)30-20(21)22/h2-4,12,20H,5-11H2,1H3
InChIKeyHHQFTMCALJOUMA-UHFFFAOYSA-N
XLogP1.35
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one (CID 57389625) is 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one is Cn1c(CC(=O)N2CCc3c(OC(F)F)cccc32)nc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
The InChIKey is HHQFTMCALJOUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O4/c1-24-16(23-17(12-18(24)27)25-7-9-29-10-8-25)11-19(28)26-6-5-13-14(26)3-2-4-15(13)30-20(21)22/h2-4,12,20H,5-11H2,1H3.
What are the key properties of 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one?
2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one has a molecular weight of 420.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-methyl-6-morpholin-4-ylpyrimidin-4-one is sourced from PubChem (CID 57389625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).