4-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine

C17H23FN6O — CID 50951052

IUPAC4-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine
SMILESCc1cc(C)n(C2CCN(c3ncc(F)c(N4CCOCC4)n3)C2)n1
InChIInChI=1S/C17H23FN6O/c1-12-9-13(2)24(21-12)14-3-4-23(11-14)17-19-10-15(18)16(20-17)22-5-7-25-8-6-22/h9-10,14H,3-8,11H2,1-2H3
InChIKeyFGKGWHCZPGNKNU-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.72
Rot. Bonds3

About 4-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine

4-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine (PubChem CID 50951052) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine
PubChem CID50951052
Molecular FormulaC17H23FN6O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Name4-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine
SMILESCc1cc(C)n(C2CCN(c3ncc(F)c(N4CCOCC4)n3)C2)n1
InChIInChI=1S/C17H23FN6O/c1-12-9-13(2)24(21-12)14-3-4-23(11-14)17-19-10-15(18)16(20-17)22-5-7-25-8-6-22/h9-10,14H,3-8,11H2,1-2H3
InChIKeyFGKGWHCZPGNKNU-UHFFFAOYSA-N
XLogP1.72
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 24989640
4-[6-(3,5-Dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine
CID 321075
2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 72945116
4-(3,5-Dimethylpyrazol-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 53172430
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
N-{[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]methyl}acetamide
CID 70705659
4-[5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(ethoxymethyl)-1,2,4-triazol-1-yl]-1-methylpiperidine
CID 97269983
4-[2-(1-ethyl-1H-pyrazol-5-yl)-5-fluoropyrimidin-4-yl]morpholine
CID 121496357
2-[3-(Trifluoromethyl)-1H-pyrazole-1-yl]-4-morpholino-6-methylpyrimidine
CID 11335968
2-[4-[4-[3-Methyl-5-(trifluoromethyl)pyrazol-1-yl]butyl]piperazin-1-yl]pyrimidine
CID 15788035
4-[2-(3-Fluoropyrazol-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 57806055
2-(3,5-dimethylpyrazol-1-yl)-5-fluoro-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 74223522

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine (CID 50951052) is 4-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine is Cc1cc(C)n(C2CCN(c3ncc(F)c(N4CCOCC4)n3)C2)n1.
What is the InChIKey of 4-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine?
The InChIKey is FGKGWHCZPGNKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6O/c1-12-9-13(2)24(21-12)14-3-4-23(11-14)17-19-10-15(18)16(20-17)22-5-7-25-8-6-22/h9-10,14H,3-8,11H2,1-2H3.
What are the key properties of 4-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine?
4-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine has a molecular weight of 346.41 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine is sourced from PubChem (CID 50951052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).