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

C26H25F2N3O3 — CID 24774840

IUPAC7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)Oc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1
InChIInChI=1S/C26H25F2N3O3/c1-16(2)33-20-5-3-4-18(12-20)21-14-25-29-11-10-22(31(25)30-21)19-8-9-23(34-26(27)28)24(13-19)32-15-17-6-7-17/h3-5,8-14,16-17,26H,6-7,15H2,1-2H3
InChIKeyDECDFQULNXAGMO-UHFFFAOYSA-N
MW465.50 g/mol
LogP6.24
Rot. Bonds9

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

7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 24774840) has the molecular formula C26H25F2N3O3 and a molecular weight of 465.50 g/mol. Its IUPAC name is 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID24774840
Molecular FormulaC26H25F2N3O3
Molecular Weight465.50 g/mol
Exact Mass465.19
IUPAC Name7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)Oc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1
InChIInChI=1S/C26H25F2N3O3/c1-16(2)33-20-5-3-4-18(12-20)21-14-25-29-11-10-22(31(25)30-21)19-8-9-23(34-26(27)28)24(13-19)32-15-17-6-7-17/h3-5,8-14,16-17,26H,6-7,15H2,1-2H3
InChIKeyDECDFQULNXAGMO-UHFFFAOYSA-N
XLogP6.24
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.50
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 24774840) is 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine is CC(C)Oc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1.
What is the InChIKey of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is DECDFQULNXAGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O3/c1-16(2)33-20-5-3-4-18(12-20)21-14-25-29-11-10-22(31(25)30-21)19-8-9-23(34-26(27)28)24(13-19)32-15-17-6-7-17/h3-5,8-14,16-17,26H,6-7,15H2,1-2H3.
What are the key properties of 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine?
7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 465.50 g/mol, XLogP of 6.24, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 24774840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).