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

C26H26F2N6O — CID 139440278

IUPAC3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]propanamide
SMILESCC(C)c1cc(-c2c(F)cccc2F)nnc1C(C)c1cccc(-c2cnn(CCC(N)=O)c2)n1
InChIInChI=1S/C26H26F2N6O/c1-15(2)18-12-23(25-19(27)6-4-7-20(25)28)32-33-26(18)16(3)21-8-5-9-22(31-21)17-13-30-34(14-17)11-10-24(29)35/h4-9,12-16H,10-11H2,1-3H3,(H2,29,35)
InChIKeyZXLAARFWRFNHGB-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.83
Rot. Bonds8

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

3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]propanamide (PubChem CID 139440278) has the molecular formula C26H26F2N6O and a molecular weight of 476.53 g/mol. Its IUPAC name is 3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]propanamide
PubChem CID139440278
Molecular FormulaC26H26F2N6O
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]propanamide
SMILESCC(C)c1cc(-c2c(F)cccc2F)nnc1C(C)c1cccc(-c2cnn(CCC(N)=O)c2)n1
InChIInChI=1S/C26H26F2N6O/c1-15(2)18-12-23(25-19(27)6-4-7-20(25)28)32-33-26(18)16(3)21-8-5-9-22(31-21)17-13-30-34(14-17)11-10-24(29)35/h4-9,12-16H,10-11H2,1-3H3,(H2,29,35)
InChIKeyZXLAARFWRFNHGB-UHFFFAOYSA-N
XLogP4.83
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]propanamide?
The IUPAC name of 3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]propanamide (CID 139440278) is 3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]propanamide is CC(C)c1cc(-c2c(F)cccc2F)nnc1C(C)c1cccc(-c2cnn(CCC(N)=O)c2)n1.
What is the InChIKey of 3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]propanamide?
The InChIKey is ZXLAARFWRFNHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O/c1-15(2)18-12-23(25-19(27)6-4-7-20(25)28)32-33-26(18)16(3)21-8-5-9-22(31-21)17-13-30-34(14-17)11-10-24(29)35/h4-9,12-16H,10-11H2,1-3H3,(H2,29,35).
What are the key properties of 3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]propanamide?
3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]propanamide has a molecular weight of 476.53 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]propanamide is sourced from PubChem (CID 139440278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).