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HZLKWJDWEWEWNZ-UHFFFAOYSA-N

C26H26F2N8O4 — CID 135186626

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(CC(=O)N2CCCCC2)nc1-c1cc2c(cc1OC(F)F)NCCO2)c1cnn2cccnc12
InChIInChI=1S/C26H26F2N8O4/c27-26(28)40-20-12-18-21(39-10-6-29-18)11-16(20)23-19(14-35(33-23)15-22(37)34-7-2-1-3-8-34)32-25(38)17-13-31-36-9-4-5-30-24(17)36/h4-5,9,11-14,26,29H,1-3,6-8,10,15H2,(H,32,38)
InChIKeyHZLKWJDWEWEWNZ-UHFFFAOYSA-N
MW552.54 g/mol
LogP3.26
Rot. Bonds7

About HZLKWJDWEWEWNZ-UHFFFAOYSA-N

HZLKWJDWEWEWNZ-UHFFFAOYSA-N (PubChem CID 135186626) has the molecular formula C26H26F2N8O4 and a molecular weight of 552.54 g/mol. Its IUPAC name is N-[3-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameHZLKWJDWEWEWNZ-UHFFFAOYSA-N
PubChem CID135186626
Molecular FormulaC26H26F2N8O4
Molecular Weight552.54 g/mol
Exact Mass552.20
IUPAC NameN-[3-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(CC(=O)N2CCCCC2)nc1-c1cc2c(cc1OC(F)F)NCCO2)c1cnn2cccnc12
InChIInChI=1S/C26H26F2N8O4/c27-26(28)40-20-12-18-21(39-10-6-29-18)11-16(20)23-19(14-35(33-23)15-22(37)34-7-2-1-3-8-34)32-25(38)17-13-31-36-9-4-5-30-24(17)36/h4-5,9,11-14,26,29H,1-3,6-8,10,15H2,(H,32,38)
InChIKeyHZLKWJDWEWEWNZ-UHFFFAOYSA-N
XLogP3.26
TPSA127.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.54
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of HZLKWJDWEWEWNZ-UHFFFAOYSA-N?
The IUPAC name of HZLKWJDWEWEWNZ-UHFFFAOYSA-N (CID 135186626) is N-[3-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for HZLKWJDWEWEWNZ-UHFFFAOYSA-N?
The canonical SMILES for HZLKWJDWEWEWNZ-UHFFFAOYSA-N is O=C(Nc1cn(CC(=O)N2CCCCC2)nc1-c1cc2c(cc1OC(F)F)NCCO2)c1cnn2cccnc12.
What is the InChIKey of HZLKWJDWEWEWNZ-UHFFFAOYSA-N?
The InChIKey is HZLKWJDWEWEWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N8O4/c27-26(28)40-20-12-18-21(39-10-6-29-18)11-16(20)23-19(14-35(33-23)15-22(37)34-7-2-1-3-8-34)32-25(38)17-13-31-36-9-4-5-30-24(17)36/h4-5,9,11-14,26,29H,1-3,6-8,10,15H2,(H,32,38).
What are the key properties of HZLKWJDWEWEWNZ-UHFFFAOYSA-N?
HZLKWJDWEWEWNZ-UHFFFAOYSA-N has a molecular weight of 552.54 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for HZLKWJDWEWEWNZ-UHFFFAOYSA-N is sourced from PubChem (CID 135186626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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