2-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]ethanol

C22H23FN6OS — CID 155524819

IUPAC2-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]ethanol
SMILESCc1cn(-c2ccc(-c3csc(Nc4c5c(nn4CCO)CCCC5)n3)cc2F)cn1
InChIInChI=1S/C22H23FN6OS/c1-14-11-28(13-24-14)20-7-6-15(10-17(20)23)19-12-31-22(25-19)26-21-16-4-2-3-5-18(16)27-29(21)8-9-30/h6-7,10-13,30H,2-5,8-9H2,1H3,(H,25,26)
InChIKeyIGNYKIASWMDUSB-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.25
Rot. Bonds6

About 2-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]ethanol

2-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]ethanol (PubChem CID 155524819) has the molecular formula C22H23FN6OS and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]ethanol
PubChem CID155524819
Molecular FormulaC22H23FN6OS
Molecular Weight438.53 g/mol
Exact Mass438.16
IUPAC Name2-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]ethanol
SMILESCc1cn(-c2ccc(-c3csc(Nc4c5c(nn4CCO)CCCC5)n3)cc2F)cn1
InChIInChI=1S/C22H23FN6OS/c1-14-11-28(13-24-14)20-7-6-15(10-17(20)23)19-12-31-22(25-19)26-21-16-4-2-3-5-18(16)27-29(21)8-9-30/h6-7,10-13,30H,2-5,8-9H2,1H3,(H,25,26)
InChIKeyIGNYKIASWMDUSB-UHFFFAOYSA-N
XLogP4.25
TPSA80.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]ethanol with MolForge

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Related Compounds

N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)pyrazin-2-yl]-1,3-thiazol-2-amine
CID 56592450
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 56592635
N-(3-tert-butyl-1-propylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 88875492
N-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 88875808
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 88875879
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 89657800
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 89657801
4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
CID 89657803
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 89657806
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 89657807
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 89657808
gamma-Secretase modulator 13
CID 89657810

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]ethanol?
The IUPAC name of 2-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]ethanol (CID 155524819) is 2-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]ethanol.
What is the SMILES notation for 2-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]ethanol?
The canonical SMILES for 2-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]ethanol is Cc1cn(-c2ccc(-c3csc(Nc4c5c(nn4CCO)CCCC5)n3)cc2F)cn1.
What is the InChIKey of 2-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]ethanol?
The InChIKey is IGNYKIASWMDUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6OS/c1-14-11-28(13-24-14)20-7-6-15(10-17(20)23)19-12-31-22(25-19)26-21-16-4-2-3-5-18(16)27-29(21)8-9-30/h6-7,10-13,30H,2-5,8-9H2,1H3,(H,25,26).
What are the key properties of 2-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]ethanol?
2-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]ethanol has a molecular weight of 438.53 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]ethanol is sourced from PubChem (CID 155524819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).