[6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol

C25H27FN6O — CID 134391210

IUPAC[6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
SMILESCCC[C@H](Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C)c1ccccc1F
InChIInChI=1S/C25H27FN6O/c1-4-7-20(18-8-5-6-9-19(18)26)29-25-16(2)12-22(30-31-25)21-10-11-24(23(14-33)28-21)32-13-17(3)27-15-32/h5-6,8-13,15,20,33H,4,7,14H2,1-3H3,(H,29,31)/t20-/m0/s1
InChIKeyBRYUJVQIUSRFCM-FQEVSTJZSA-N
MW446.53 g/mol
LogP4.93
Rot. Bonds8

About [6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol

[6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (PubChem CID 134391210) has the molecular formula C25H27FN6O and a molecular weight of 446.53 g/mol. Its IUPAC name is [6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
PubChem CID134391210
Molecular FormulaC25H27FN6O
Molecular Weight446.53 g/mol
Exact Mass446.22
IUPAC Name[6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
SMILESCCC[C@H](Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C)c1ccccc1F
InChIInChI=1S/C25H27FN6O/c1-4-7-20(18-8-5-6-9-19(18)26)29-25-16(2)12-22(30-31-25)21-10-11-24(23(14-33)28-21)32-13-17(3)27-15-32/h5-6,8-13,15,20,33H,4,7,14H2,1-3H3,(H,29,31)/t20-/m0/s1
InChIKeyBRYUJVQIUSRFCM-FQEVSTJZSA-N
XLogP4.93
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol 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

(2R)-2-[(2S)-4-[5-fluoro-3-(hydroxymethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 53354478
[4-[[5-(3-Propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186268
7-[2-(1-Imidazolyl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455594
US10399985, Example 18
CID 118278162
US10399985, Example 15
CID 118278198
(3S,5R)-3,5-diamino-1-[3-[[2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]piperidin-4-ol
CID 134146922
(3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenyl)methanol
CID 71451823
(1-(6-(4-(6-fluoroindolin-1-yl)piperidin-1-yl)pyridazin-3-yl)-1H-imidazol-4-yl)methanol
CID 76336449
(S)-N-(1-(3,5-difluorophenyl)ethyl)-6-(6-methoxy-5-(4-methyl-1H-imidazol-1-yl)pyridin-2-yl)-4-methylpyridazin-3-amine
CID 134391603
6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[(1S)-1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine
CID 134391618
[4-[6-(4-Fluorophenyl) imidazo[1,2-3]pyridazin-3-yl]phenyl] methanol
CID 135316116
(3R,4R,5S)-3-amino-1-(3-((2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-yl)amino)pyridin-4-yl)-5-methylpiperidin-4-ol
CID 71007291

Frequently Asked Questions

What is the IUPAC name of [6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (CID 134391210) is [6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is CCC[C@H](Nc1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C)c1ccccc1F.
What is the InChIKey of [6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The InChIKey is BRYUJVQIUSRFCM-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H27FN6O/c1-4-7-20(18-8-5-6-9-19(18)26)29-25-16(2)12-22(30-31-25)21-10-11-24(23(14-33)28-21)32-13-17(3)27-15-32/h5-6,8-13,15,20,33H,4,7,14H2,1-3H3,(H,29,31)/t20-/m0/s1.
What are the key properties of [6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
[6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 446.53 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 134391210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).