7-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine

C25H25FN4O2 — CID 66635550

IUPAC7-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCOCc1nn2c(-c3ccc(F)cc3)cc(N3CCCC3)nc2c1-c1ccc(OC)cc1
InChIInChI=1S/C25H25FN4O2/c1-31-16-21-24(18-7-11-20(32-2)12-8-18)25-27-23(29-13-3-4-14-29)15-22(30(25)28-21)17-5-9-19(26)10-6-17/h5-12,15H,3-4,13-14,16H2,1-2H3
InChIKeyXPQFZLGSAQGSKP-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.96
Rot. Bonds6

About 7-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine

7-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 66635550) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID66635550
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name7-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCOCc1nn2c(-c3ccc(F)cc3)cc(N3CCCC3)nc2c1-c1ccc(OC)cc1
InChIInChI=1S/C25H25FN4O2/c1-31-16-21-24(18-7-11-20(32-2)12-8-18)25-27-23(29-13-3-4-14-29)15-22(30(25)28-21)17-5-9-19(26)10-6-17/h5-12,15H,3-4,13-14,16H2,1-2H3
InChIKeyXPQFZLGSAQGSKP-UHFFFAOYSA-N
XLogP4.96
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 66635550) is 7-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine is COCc1nn2c(-c3ccc(F)cc3)cc(N3CCCC3)nc2c1-c1ccc(OC)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is XPQFZLGSAQGSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-31-16-21-24(18-7-11-20(32-2)12-8-18)25-27-23(29-13-3-4-14-29)15-22(30(25)28-21)17-5-9-19(26)10-6-17/h5-12,15H,3-4,13-14,16H2,1-2H3.
What are the key properties of 7-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
7-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 432.50 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66635550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).