2-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol

C26H27F2N5O — CID 145182255

IUPAC2-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol
SMILESCC(C)c1cc(-c2c(F)cccc2F)nnc1C(C)c1cccc(-c2cc(C(C)(C)O)[nH]n2)n1
InChIInChI=1S/C26H27F2N5O/c1-14(2)16-12-22(24-17(27)8-6-9-18(24)28)31-33-25(16)15(3)19-10-7-11-20(29-19)21-13-23(32-30-21)26(4,5)34/h6-15,34H,1-5H3,(H,30,32)
InChIKeyMOCNUCGWGNTPRB-UHFFFAOYSA-N
MW463.53 g/mol
LogP5.71
Rot. Bonds6

About 2-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol

2-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol (PubChem CID 145182255) has the molecular formula C26H27F2N5O and a molecular weight of 463.53 g/mol. Its IUPAC name is 2-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol
PubChem CID145182255
Molecular FormulaC26H27F2N5O
Molecular Weight463.53 g/mol
Exact Mass463.22
IUPAC Name2-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol
SMILESCC(C)c1cc(-c2c(F)cccc2F)nnc1C(C)c1cccc(-c2cc(C(C)(C)O)[nH]n2)n1
InChIInChI=1S/C26H27F2N5O/c1-14(2)16-12-22(24-17(27)8-6-9-18(24)28)31-33-25(16)15(3)19-10-7-11-20(29-19)21-13-23(32-30-21)26(4,5)34/h6-15,34H,1-5H3,(H,30,32)
InChIKeyMOCNUCGWGNTPRB-UHFFFAOYSA-N
XLogP5.71
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol (CID 145182255) is 2-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol is CC(C)c1cc(-c2c(F)cccc2F)nnc1C(C)c1cccc(-c2cc(C(C)(C)O)[nH]n2)n1.
What is the InChIKey of 2-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol?
The InChIKey is MOCNUCGWGNTPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O/c1-14(2)16-12-22(24-17(27)8-6-9-18(24)28)31-33-25(16)15(3)19-10-7-11-20(29-19)21-13-23(32-30-21)26(4,5)34/h6-15,34H,1-5H3,(H,30,32).
What are the key properties of 2-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol?
2-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol has a molecular weight of 463.53 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]-1H-pyrazol-5-yl]propan-2-ol is sourced from PubChem (CID 145182255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).