(2R)-1-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]pyrazin-2-yl]-5-methylpyrazol-1-yl]propan-2-ol

C26H28F2N6O — CID 139440013

IUPAC(2R)-1-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]pyrazin-2-yl]-5-methylpyrazol-1-yl]propan-2-ol
SMILESCc1cc(-c2cncc(C(C)c3nnc(-c4c(F)cccc4F)cc3C(C)C)n2)nn1C[C@@H](C)O
InChIInChI=1S/C26H28F2N6O/c1-14(2)18-10-22(25-19(27)7-6-8-20(25)28)31-32-26(18)17(5)23-11-29-12-24(30-23)21-9-15(3)34(33-21)13-16(4)35/h6-12,14,16-17,35H,13H2,1-5H3/t16-,17?/m1/s1
InChIKeyPADRIRODTOAMLH-TZHYSIJRSA-N
MW478.55 g/mol
LogP5.04
Rot. Bonds7

About (2R)-1-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]pyrazin-2-yl]-5-methylpyrazol-1-yl]propan-2-ol

(2R)-1-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]pyrazin-2-yl]-5-methylpyrazol-1-yl]propan-2-ol (PubChem CID 139440013) has the molecular formula C26H28F2N6O and a molecular weight of 478.55 g/mol. Its IUPAC name is (2R)-1-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]pyrazin-2-yl]-5-methylpyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]pyrazin-2-yl]-5-methylpyrazol-1-yl]propan-2-ol
PubChem CID139440013
Molecular FormulaC26H28F2N6O
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name(2R)-1-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]pyrazin-2-yl]-5-methylpyrazol-1-yl]propan-2-ol
SMILESCc1cc(-c2cncc(C(C)c3nnc(-c4c(F)cccc4F)cc3C(C)C)n2)nn1C[C@@H](C)O
InChIInChI=1S/C26H28F2N6O/c1-14(2)18-10-22(25-19(27)7-6-8-20(25)28)31-32-26(18)17(5)23-11-29-12-24(30-23)21-9-15(3)34(33-21)13-16(4)35/h6-12,14,16-17,35H,13H2,1-5H3/t16-,17?/m1/s1
InChIKeyPADRIRODTOAMLH-TZHYSIJRSA-N
XLogP5.04
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]pyrazin-2-yl]-5-methylpyrazol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]pyrazin-2-yl]-5-methylpyrazol-1-yl]propan-2-ol (CID 139440013) is (2R)-1-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]pyrazin-2-yl]-5-methylpyrazol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]pyrazin-2-yl]-5-methylpyrazol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]pyrazin-2-yl]-5-methylpyrazol-1-yl]propan-2-ol is Cc1cc(-c2cncc(C(C)c3nnc(-c4c(F)cccc4F)cc3C(C)C)n2)nn1C[C@@H](C)O.
What is the InChIKey of (2R)-1-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]pyrazin-2-yl]-5-methylpyrazol-1-yl]propan-2-ol?
The InChIKey is PADRIRODTOAMLH-TZHYSIJRSA-N. The full InChI is InChI=1S/C26H28F2N6O/c1-14(2)18-10-22(25-19(27)7-6-8-20(25)28)31-32-26(18)17(5)23-11-29-12-24(30-23)21-9-15(3)34(33-21)13-16(4)35/h6-12,14,16-17,35H,13H2,1-5H3/t16-,17?/m1/s1.
What are the key properties of (2R)-1-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]pyrazin-2-yl]-5-methylpyrazol-1-yl]propan-2-ol?
(2R)-1-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]pyrazin-2-yl]-5-methylpyrazol-1-yl]propan-2-ol has a molecular weight of 478.55 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]pyrazin-2-yl]-5-methylpyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 139440013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).