4-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C19H21FN4O — CID 652580

IUPAC4-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1nc2c(-c3ccc(F)cc3)c(C)nn2c(N2CCOCC2)c1C
InChIInChI=1S/C19H21FN4O/c1-12-13(2)21-18-17(15-4-6-16(20)7-5-15)14(3)22-24(18)19(12)23-8-10-25-11-9-23/h4-7H,8-11H2,1-3H3
InChIKeyQRGXILGBPGTIAD-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.30
Rot. Bonds2

About 4-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 652580) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID652580
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name4-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1nc2c(-c3ccc(F)cc3)c(C)nn2c(N2CCOCC2)c1C
InChIInChI=1S/C19H21FN4O/c1-12-13(2)21-18-17(15-4-6-16(20)7-5-15)14(3)22-24(18)19(12)23-8-10-25-11-9-23/h4-7H,8-11H2,1-3H3
InChIKeyQRGXILGBPGTIAD-UHFFFAOYSA-N
XLogP3.30
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 652580) is 4-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(N2CCOCC2)c1C.
What is the InChIKey of 4-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is QRGXILGBPGTIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-12-13(2)21-18-17(15-4-6-16(20)7-5-15)14(3)22-24(18)19(12)23-8-10-25-11-9-23/h4-7H,8-11H2,1-3H3.
What are the key properties of 4-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 340.40 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 652580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).