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

C27H28F2N6O — CID 139440093

IUPAC(2S)-3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]-2-methylpropanamide
SMILESCC(C)c1cc(-c2c(F)cccc2F)nnc1C(C)c1cccc(-c2cnn(C[C@H](C)C(N)=O)c2)n1
InChIInChI=1S/C27H28F2N6O/c1-15(2)19-11-24(25-20(28)7-5-8-21(25)29)33-34-26(19)17(4)22-9-6-10-23(32-22)18-12-31-35(14-18)13-16(3)27(30)36/h5-12,14-17H,13H2,1-4H3,(H2,30,36)/t16-,17?/m0/s1
InChIKeyJPBPMUKPFMNUSD-BHWOMJMDSA-N
MW490.56 g/mol
LogP5.08
Rot. Bonds8

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

(2S)-3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]-2-methylpropanamide (PubChem CID 139440093) has the molecular formula C27H28F2N6O and a molecular weight of 490.56 g/mol. Its IUPAC name is (2S)-3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]-2-methylpropanamide
PubChem CID139440093
Molecular FormulaC27H28F2N6O
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Name(2S)-3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]-2-methylpropanamide
SMILESCC(C)c1cc(-c2c(F)cccc2F)nnc1C(C)c1cccc(-c2cnn(C[C@H](C)C(N)=O)c2)n1
InChIInChI=1S/C27H28F2N6O/c1-15(2)19-11-24(25-20(28)7-5-8-21(25)29)33-34-26(19)17(4)22-9-6-10-23(32-22)18-12-31-35(14-18)13-16(3)27(30)36/h5-12,14-17H,13H2,1-4H3,(H2,30,36)/t16-,17?/m0/s1
InChIKeyJPBPMUKPFMNUSD-BHWOMJMDSA-N
XLogP5.08
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]-2-methylpropanamide?
The IUPAC name of (2S)-3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]-2-methylpropanamide (CID 139440093) is (2S)-3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]-2-methylpropanamide.
What is the SMILES notation for (2S)-3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]-2-methylpropanamide?
The canonical SMILES for (2S)-3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]-2-methylpropanamide is CC(C)c1cc(-c2c(F)cccc2F)nnc1C(C)c1cccc(-c2cnn(C[C@H](C)C(N)=O)c2)n1.
What is the InChIKey of (2S)-3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]-2-methylpropanamide?
The InChIKey is JPBPMUKPFMNUSD-BHWOMJMDSA-N. The full InChI is InChI=1S/C27H28F2N6O/c1-15(2)19-11-24(25-20(28)7-5-8-21(25)29)33-34-26(19)17(4)22-9-6-10-23(32-22)18-12-31-35(14-18)13-16(3)27(30)36/h5-12,14-17H,13H2,1-4H3,(H2,30,36)/t16-,17?/m0/s1.
What are the key properties of (2S)-3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]-2-methylpropanamide?
(2S)-3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]-2-methylpropanamide has a molecular weight of 490.56 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[4-[6-[1-[6-(2,6-difluorophenyl)-4-propan-2-ylpyridazin-3-yl]ethyl]-2-pyridinyl]pyrazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 139440093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).