[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone

C20H20F2N4O2 — CID 1094050

IUPAC[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCCCC4)c3n2)cc1
InChIInChI=1S/C20H20F2N4O2/c1-28-14-7-5-13(6-8-14)16-11-17(18(21)22)26-19(24-16)15(12-23-26)20(27)25-9-3-2-4-10-25/h5-8,11-12,18H,2-4,9-10H2,1H3
InChIKeyUXJKFVOSUYJJRU-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.97
Rot. Bonds4

About [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone

[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 1094050) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone
PubChem CID1094050
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCCCC4)c3n2)cc1
InChIInChI=1S/C20H20F2N4O2/c1-28-14-7-5-13(6-8-14)16-11-17(18(21)22)26-19(24-16)15(12-23-26)20(27)25-9-3-2-4-10-25/h5-8,11-12,18H,2-4,9-10H2,1H3
InChIKeyUXJKFVOSUYJJRU-UHFFFAOYSA-N
XLogP3.97
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone (CID 1094050) is [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone is COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCCCC4)c3n2)cc1.
What is the InChIKey of [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is UXJKFVOSUYJJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-28-14-7-5-13(6-8-14)16-11-17(18(21)22)26-19(24-16)15(12-23-26)20(27)25-9-3-2-4-10-25/h5-8,11-12,18H,2-4,9-10H2,1H3.
What are the key properties of [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone?
[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 386.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 1094050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).