(1S)-1-[2-[3-(difluoromethoxy)-5-methyl-1H-pyrazol-4-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol

C23H19F3N8O2 — CID 172516656

IUPAC(1S)-1-[2-[3-(difluoromethoxy)-5-methyl-1H-pyrazol-4-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol
SMILESCc1[nH]nc(OC(F)F)c1-c1nc(-n2cnc3cc(Nc4cccnn4)c(F)cc32)ccc1[C@H](C)O
InChIInChI=1S/C23H19F3N8O2/c1-11-20(22(33-31-11)36-23(25)26)21-13(12(2)35)5-6-19(30-21)34-10-27-16-9-15(14(24)8-17(16)34)29-18-4-3-7-28-32-18/h3-10,12,23,35H,1-2H3,(H,29,32)(H,31,33)/t12-/m0/s1
InChIKeyLTYLPHALEMBYDM-LBPRGKRZSA-N
MW496.45 g/mol
LogP4.45
Rot. Bonds7

About (1S)-1-[2-[3-(difluoromethoxy)-5-methyl-1H-pyrazol-4-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol

(1S)-1-[2-[3-(difluoromethoxy)-5-methyl-1H-pyrazol-4-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol (PubChem CID 172516656) has the molecular formula C23H19F3N8O2 and a molecular weight of 496.45 g/mol. Its IUPAC name is (1S)-1-[2-[3-(difluoromethoxy)-5-methyl-1H-pyrazol-4-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[3-(difluoromethoxy)-5-methyl-1H-pyrazol-4-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol
PubChem CID172516656
Molecular FormulaC23H19F3N8O2
Molecular Weight496.45 g/mol
Exact Mass496.16
IUPAC Name(1S)-1-[2-[3-(difluoromethoxy)-5-methyl-1H-pyrazol-4-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol
SMILESCc1[nH]nc(OC(F)F)c1-c1nc(-n2cnc3cc(Nc4cccnn4)c(F)cc32)ccc1[C@H](C)O
InChIInChI=1S/C23H19F3N8O2/c1-11-20(22(33-31-11)36-23(25)26)21-13(12(2)35)5-6-19(30-21)34-10-27-16-9-15(14(24)8-17(16)34)29-18-4-3-7-28-32-18/h3-10,12,23,35H,1-2H3,(H,29,32)(H,31,33)/t12-/m0/s1
InChIKeyLTYLPHALEMBYDM-LBPRGKRZSA-N
XLogP4.45
TPSA126.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.45
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (1S)-1-[2-[3-(difluoromethoxy)-5-methyl-1H-pyrazol-4-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

(1S)-1-[2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol
CID 168991368
(1S)-1-[2-[3-(1-fluoroethyl)-5-methylpyrazol-1-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol
CID 168991681
1-[6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-2-[5-methyl-1-(2,2,2-trifluoroethyl)triazol-4-yl]-3-pyridinyl]ethanol
CID 170075682
1-[2-[3-(difluoromethyl)-4,5-dimethylpyrazol-1-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol
CID 168991871
1-[2-[3-[difluoro(phosphanyl)methyl]-1-methylpyrazol-5-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol
CID 168991362
1-[2-[1-(2-methoxypropyl)-5-methylpyrazol-4-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol
CID 168991817
1-[2-[1-(2,2-difluorocyclopropyl)-3-methylpyrazol-4-yl]-6-[5-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-3-pyridinyl]ethanol
CID 168991932
1-[3-(1-hydroxyethyl)-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-3-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile
CID 175985352
1-[3-(difluoromethyl)-6-[5-[(6-methylpyridazin-3-yl)amino]-6-(oxetan-3-yloxy)benzimidazol-1-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile
CID 171830712
1-[3-[(1S)-1-hydroxyethyl]-6-[6-[(6-methylpyridazin-3-yl)amino]benzimidazol-1-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile
CID 168991715
1-[6-(6-bromobenzimidazol-1-yl)-2-pyrazol-1-yl-3-pyridinyl]ethanol
CID 172516652
2-[3-[(1S)-1-hydroxyethyl]-6-[6-methoxy-5-[(2-methylpyrimidin-5-yl)amino]benzimidazol-1-yl]-2-pyridinyl]-3-methyl-1H-pyrazol-5-one
CID 168991682

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[3-(difluoromethoxy)-5-methyl-1H-pyrazol-4-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[2-[3-(difluoromethoxy)-5-methyl-1H-pyrazol-4-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol (CID 172516656) is (1S)-1-[2-[3-(difluoromethoxy)-5-methyl-1H-pyrazol-4-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[3-(difluoromethoxy)-5-methyl-1H-pyrazol-4-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[2-[3-(difluoromethoxy)-5-methyl-1H-pyrazol-4-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol is Cc1[nH]nc(OC(F)F)c1-c1nc(-n2cnc3cc(Nc4cccnn4)c(F)cc32)ccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[3-(difluoromethoxy)-5-methyl-1H-pyrazol-4-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol?
The InChIKey is LTYLPHALEMBYDM-LBPRGKRZSA-N. The full InChI is InChI=1S/C23H19F3N8O2/c1-11-20(22(33-31-11)36-23(25)26)21-13(12(2)35)5-6-19(30-21)34-10-27-16-9-15(14(24)8-17(16)34)29-18-4-3-7-28-32-18/h3-10,12,23,35H,1-2H3,(H,29,32)(H,31,33)/t12-/m0/s1.
What are the key properties of (1S)-1-[2-[3-(difluoromethoxy)-5-methyl-1H-pyrazol-4-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol?
(1S)-1-[2-[3-(difluoromethoxy)-5-methyl-1H-pyrazol-4-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol has a molecular weight of 496.45 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[3-(difluoromethoxy)-5-methyl-1H-pyrazol-4-yl]-6-[6-fluoro-5-(pyridazin-3-ylamino)benzimidazol-1-yl]-3-pyridinyl]ethanol is sourced from PubChem (CID 172516656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).