5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C21H25N5O4 — CID 135540509

IUPAC5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(C)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3OCC(=O)N3CCOCC3)nc12
InChIInChI=1S/C21H25N5O4/c1-13(2)18-19-20(25-24-18)21(28)23-16(22-19)11-14-5-3-4-6-15(14)30-12-17(27)26-7-9-29-10-8-26/h3-6,13H,7-12H2,1-2H3,(H,24,25)(H,22,23,28)
InChIKeyHETHZASKFZMWLF-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.60
Rot. Bonds6

About 5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135540509) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135540509
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(C)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3OCC(=O)N3CCOCC3)nc12
InChIInChI=1S/C21H25N5O4/c1-13(2)18-19-20(25-24-18)21(28)23-16(22-19)11-14-5-3-4-6-15(14)30-12-17(27)26-7-9-29-10-8-26/h3-6,13H,7-12H2,1-2H3,(H,24,25)(H,22,23,28)
InChIKeyHETHZASKFZMWLF-UHFFFAOYSA-N
XLogP1.60
TPSA113.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135440149
1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone
CID 43277297
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135721203
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
CID 55154462
2-[[(2S)-2-(1-aminoethyl)-3-phenyl-2H-quinazolin-5-yl]oxy]-1-morpholin-4-ylethanone
CID 151788740
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
3-(2-morpholin-4-yl-2-oxoethoxy)pyridine-2-carboxylic acid
CID 61380057
2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]-1-morpholin-4-ylethanone
CID 79164661
2-[2-[(1R)-1-hydroxypropyl]phenoxy]-1-morpholin-4-ylethanone
CID 78930986
2-(2-ethylphenoxy)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 71901862

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 135540509) is 5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is CC(C)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3OCC(=O)N3CCOCC3)nc12.
What is the InChIKey of 5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is HETHZASKFZMWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-13(2)18-19-20(25-24-18)21(28)23-16(22-19)11-14-5-3-4-6-15(14)30-12-17(27)26-7-9-29-10-8-26/h3-6,13H,7-12H2,1-2H3,(H,24,25)(H,22,23,28).
What are the key properties of 5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 411.46 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135540509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).