7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

C25H23F2N3O4 — CID 24774844

IUPAC7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(OC)cc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1
InChIInChI=1S/C25H23F2N3O4/c1-31-18-9-17(10-19(12-18)32-2)20-13-24-28-8-7-21(30(24)29-20)16-5-6-22(34-25(26)27)23(11-16)33-14-15-3-4-15/h5-13,15,25H,3-4,14H2,1-2H3
InChIKeyRGJOPCYNUXNKJA-UHFFFAOYSA-N
MW467.47 g/mol
LogP5.47
Rot. Bonds9

About 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 24774844) has the molecular formula C25H23F2N3O4 and a molecular weight of 467.47 g/mol. Its IUPAC name is 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID24774844
Molecular FormulaC25H23F2N3O4
Molecular Weight467.47 g/mol
Exact Mass467.17
IUPAC Name7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(OC)cc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1
InChIInChI=1S/C25H23F2N3O4/c1-31-18-9-17(10-19(12-18)32-2)20-13-24-28-8-7-21(30(24)29-20)16-5-6-22(34-25(26)27)23(11-16)33-14-15-3-4-15/h5-13,15,25H,3-4,14H2,1-2H3
InChIKeyRGJOPCYNUXNKJA-UHFFFAOYSA-N
XLogP5.47
TPSA67.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.47
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 24774844) is 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1cc(OC)cc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1.
What is the InChIKey of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is RGJOPCYNUXNKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O4/c1-31-18-9-17(10-19(12-18)32-2)20-13-24-28-8-7-21(30(24)29-20)16-5-6-22(34-25(26)27)23(11-16)33-14-15-3-4-15/h5-13,15,25H,3-4,14H2,1-2H3.
What are the key properties of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 467.47 g/mol, XLogP of 5.47, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 24774844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).