5-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-methoxyphenol

C24H21F2N3O4 — CID 24775573

IUPAC5-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)cc1O
InChIInChI=1S/C24H21F2N3O4/c1-31-20-6-4-15(10-19(20)30)17-12-23-27-9-8-18(29(23)28-17)16-5-7-21(33-24(25)26)22(11-16)32-13-14-2-3-14/h4-12,14,24,30H,2-3,13H2,1H3
InChIKeyVTIRXBSNKOIAIF-UHFFFAOYSA-N
MW453.45 g/mol
LogP5.17
Rot. Bonds8

About 5-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-methoxyphenol

5-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-methoxyphenol (PubChem CID 24775573) has the molecular formula C24H21F2N3O4 and a molecular weight of 453.45 g/mol. Its IUPAC name is 5-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-methoxyphenol
PubChem CID24775573
Molecular FormulaC24H21F2N3O4
Molecular Weight453.45 g/mol
Exact Mass453.15
IUPAC Name5-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)cc1O
InChIInChI=1S/C24H21F2N3O4/c1-31-20-6-4-15(10-19(20)30)17-12-23-27-9-8-18(29(23)28-17)16-5-7-21(33-24(25)26)22(11-16)32-13-14-2-3-14/h4-12,14,24,30H,2-3,13H2,1H3
InChIKeyVTIRXBSNKOIAIF-UHFFFAOYSA-N
XLogP5.17
TPSA78.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.45
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-methoxyphenol?
The IUPAC name of 5-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-methoxyphenol (CID 24775573) is 5-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-methoxyphenol?
The canonical SMILES for 5-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-methoxyphenol is COc1ccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)cc1O.
What is the InChIKey of 5-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-methoxyphenol?
The InChIKey is VTIRXBSNKOIAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O4/c1-31-20-6-4-15(10-19(20)30)17-12-23-27-9-8-18(29(23)28-17)16-5-7-21(33-24(25)26)22(11-16)32-13-14-2-3-14/h4-12,14,24,30H,2-3,13H2,1H3.
What are the key properties of 5-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-methoxyphenol?
5-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-methoxyphenol has a molecular weight of 453.45 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-2-methoxyphenol is sourced from PubChem (CID 24775573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).