4-[[5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine

C17H23FN6O — CID 97413586

IUPAC4-[[5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine
SMILESCC(C)n1nc(CN2CCOCC2)c2c1CN(c1ncc(F)cn1)C2
InChIInChI=1S/C17H23FN6O/c1-12(2)24-16-11-23(17-19-7-13(18)8-20-17)9-14(16)15(21-24)10-22-3-5-25-6-4-22/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyARIHDKXZQBKBNX-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.75
Rot. Bonds4

About 4-[[5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine

4-[[5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine (PubChem CID 97413586) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-[[5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine
PubChem CID97413586
Molecular FormulaC17H23FN6O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Name4-[[5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine
SMILESCC(C)n1nc(CN2CCOCC2)c2c1CN(c1ncc(F)cn1)C2
InChIInChI=1S/C17H23FN6O/c1-12(2)24-16-11-23(17-19-7-13(18)8-20-17)9-14(16)15(21-24)10-22-3-5-25-6-4-22/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyARIHDKXZQBKBNX-UHFFFAOYSA-N
XLogP1.75
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(7-Methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethyl]morpholine
CID 12671250
4-[(2S,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine
CID 97471022
4-[7-[(1-Methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl]morpholine
CID 97516662
5-fluoro-2-{4-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}pyrimidine
CID 50972624
2-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 56754901
2-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]methyl}-5-(5-fluoro-2-pyrimidinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56898062
4-[(2R,3R)-1-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]morpholine
CID 125185191
4-N-ethyl-2-N-(5-morpholin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 132244637
[1-(2-ethyl-5-fluoropyrimidin-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazol-5-yl]-[(2S,5R)-4-(3-methoxypropyl)-2,5-dimethylpiperazin-1-yl]methanone
CID 150231939
4-{2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl}morpholine
CID 50951052
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 50958743
4-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine
CID 95120956

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine (CID 97413586) is 4-[[5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine is CC(C)n1nc(CN2CCOCC2)c2c1CN(c1ncc(F)cn1)C2.
What is the InChIKey of 4-[[5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine?
The InChIKey is ARIHDKXZQBKBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6O/c1-12(2)24-16-11-23(17-19-7-13(18)8-20-17)9-14(16)15(21-24)10-22-3-5-25-6-4-22/h7-8,12H,3-6,9-11H2,1-2H3.
What are the key properties of 4-[[5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine?
4-[[5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine has a molecular weight of 346.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine is sourced from PubChem (CID 97413586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).