1-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4,5-dihydropyrimidin-2-yl)ethanone

C19H22F2N4O3 — CID 123168486

IUPAC1-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4,5-dihydropyrimidin-2-yl)ethanone
SMILESO=C(CC1=NCCC(N2CCOCC2)=N1)N1CCc2c(OC(F)F)cccc21
InChIInChI=1S/C19H22F2N4O3/c20-19(21)28-15-3-1-2-14-13(15)5-7-25(14)18(26)12-16-22-6-4-17(23-16)24-8-10-27-11-9-24/h1-3,19H,4-12H2
InChIKeyPFAWLZVCMLYFKP-UHFFFAOYSA-N
MW392.41 g/mol
LogP2.10
Rot. Bonds4

About 1-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4,5-dihydropyrimidin-2-yl)ethanone

1-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4,5-dihydropyrimidin-2-yl)ethanone (PubChem CID 123168486) has the molecular formula C19H22F2N4O3 and a molecular weight of 392.41 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4,5-dihydropyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4,5-dihydropyrimidin-2-yl)ethanone
PubChem CID123168486
Molecular FormulaC19H22F2N4O3
Molecular Weight392.41 g/mol
Exact Mass392.17
IUPAC Name1-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4,5-dihydropyrimidin-2-yl)ethanone
SMILESO=C(CC1=NCCC(N2CCOCC2)=N1)N1CCc2c(OC(F)F)cccc21
InChIInChI=1S/C19H22F2N4O3/c20-19(21)28-15-3-1-2-14-13(15)5-7-25(14)18(26)12-16-22-6-4-17(23-16)24-8-10-27-11-9-24/h1-3,19H,4-12H2
InChIKeyPFAWLZVCMLYFKP-UHFFFAOYSA-N
XLogP2.10
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4,5-dihydropyrimidin-2-yl)ethanone?
The IUPAC name of 1-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4,5-dihydropyrimidin-2-yl)ethanone (CID 123168486) is 1-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4,5-dihydropyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4,5-dihydropyrimidin-2-yl)ethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4,5-dihydropyrimidin-2-yl)ethanone is O=C(CC1=NCCC(N2CCOCC2)=N1)N1CCc2c(OC(F)F)cccc21.
What is the InChIKey of 1-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4,5-dihydropyrimidin-2-yl)ethanone?
The InChIKey is PFAWLZVCMLYFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O3/c20-19(21)28-15-3-1-2-14-13(15)5-7-25(14)18(26)12-16-22-6-4-17(23-16)24-8-10-27-11-9-24/h1-3,19H,4-12H2.
What are the key properties of 1-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4,5-dihydropyrimidin-2-yl)ethanone?
1-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4,5-dihydropyrimidin-2-yl)ethanone has a molecular weight of 392.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-(6-morpholin-4-yl-4,5-dihydropyrimidin-2-yl)ethanone is sourced from PubChem (CID 123168486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).