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

C17H23FN6O — CID 95120956

IUPAC4-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine
SMILESCc1cc(C)n([C@@H]2CCN(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/t14-/m1/s1
InChIKeyFGKGWHCZPGNKNU-CQSZACIVSA-N
MW346.41 g/mol
LogP1.72
Rot. Bonds3

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

4-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine (PubChem CID 95120956) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine
PubChem CID95120956
Molecular FormulaC17H23FN6O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Name4-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine
SMILESCc1cc(C)n([C@@H]2CCN(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/t14-/m1/s1
InChIKeyFGKGWHCZPGNKNU-CQSZACIVSA-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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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine (CID 95120956) is 4-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine is Cc1cc(C)n([C@@H]2CCN(c3ncc(F)c(N4CCOCC4)n3)C2)n1.
What is the InChIKey of 4-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine?
The InChIKey is FGKGWHCZPGNKNU-CQSZACIVSA-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/t14-/m1/s1.
What are the key properties of 4-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine?
4-[2-[(3R)-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-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine is sourced from PubChem (CID 95120956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).