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

C23H25FN6OS — CID 155562738

IUPAC3-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]propan-1-ol
SMILESCc1cn(-c2ccc(-c3csc(Nc4c5c(nn4CCCO)CCCC5)n3)cc2F)cn1
InChIInChI=1S/C23H25FN6OS/c1-15-12-29(14-25-15)21-8-7-16(11-18(21)24)20-13-32-23(26-20)27-22-17-5-2-3-6-19(17)28-30(22)9-4-10-31/h7-8,11-14,31H,2-6,9-10H2,1H3,(H,26,27)
InChIKeyFGOJSZMRJXSOEP-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.64
Rot. Bonds7

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

3-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]propan-1-ol (PubChem CID 155562738) has the molecular formula C23H25FN6OS and a molecular weight of 452.56 g/mol. Its IUPAC name is 3-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]propan-1-ol
PubChem CID155562738
Molecular FormulaC23H25FN6OS
Molecular Weight452.56 g/mol
Exact Mass452.18
IUPAC Name3-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]propan-1-ol
SMILESCc1cn(-c2ccc(-c3csc(Nc4c5c(nn4CCCO)CCCC5)n3)cc2F)cn1
InChIInChI=1S/C23H25FN6OS/c1-15-12-29(14-25-15)21-8-7-16(11-18(21)24)20-13-32-23(26-20)27-22-17-5-2-3-6-19(17)28-30(22)9-4-10-31/h7-8,11-14,31H,2-6,9-10H2,1H3,(H,26,27)
InChIKeyFGOJSZMRJXSOEP-UHFFFAOYSA-N
XLogP4.64
TPSA80.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]propan-1-ol?
The IUPAC name of 3-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]propan-1-ol (CID 155562738) is 3-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]propan-1-ol is Cc1cn(-c2ccc(-c3csc(Nc4c5c(nn4CCCO)CCCC5)n3)cc2F)cn1.
What is the InChIKey of 3-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]propan-1-ol?
The InChIKey is FGOJSZMRJXSOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6OS/c1-15-12-29(14-25-15)21-8-7-16(11-18(21)24)20-13-32-23(26-20)27-22-17-5-2-3-6-19(17)28-30(22)9-4-10-31/h7-8,11-14,31H,2-6,9-10H2,1H3,(H,26,27).
What are the key properties of 3-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]propan-1-ol?
3-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]propan-1-ol has a molecular weight of 452.56 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]propan-1-ol is sourced from PubChem (CID 155562738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).