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

C24H27FN6OS — CID 155533472

IUPAC1-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol
SMILESCc1cn(-c2ccc(-c3csc(Nc4c5c(nn4CC(C)(C)O)CCCC5)n3)cc2F)cn1
InChIInChI=1S/C24H27FN6OS/c1-15-11-30(14-26-15)21-9-8-16(10-18(21)25)20-12-33-23(27-20)28-22-17-6-4-5-7-19(17)29-31(22)13-24(2,3)32/h8-12,14,32H,4-7,13H2,1-3H3,(H,27,28)
InChIKeyYEHUADCGMQHMIN-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.03
Rot. Bonds6

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

1-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol (PubChem CID 155533472) has the molecular formula C24H27FN6OS and a molecular weight of 466.59 g/mol. Its IUPAC name is 1-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol
PubChem CID155533472
Molecular FormulaC24H27FN6OS
Molecular Weight466.59 g/mol
Exact Mass466.20
IUPAC Name1-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol
SMILESCc1cn(-c2ccc(-c3csc(Nc4c5c(nn4CC(C)(C)O)CCCC5)n3)cc2F)cn1
InChIInChI=1S/C24H27FN6OS/c1-15-11-30(14-26-15)21-9-8-16(10-18(21)25)20-12-33-23(27-20)28-22-17-6-4-5-7-19(17)29-31(22)13-24(2,3)32/h8-12,14,32H,4-7,13H2,1-3H3,(H,27,28)
InChIKeyYEHUADCGMQHMIN-UHFFFAOYSA-N
XLogP5.03
TPSA80.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol (CID 155533472) is 1-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol is Cc1cn(-c2ccc(-c3csc(Nc4c5c(nn4CC(C)(C)O)CCCC5)n3)cc2F)cn1.
What is the InChIKey of 1-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol?
The InChIKey is YEHUADCGMQHMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6OS/c1-15-11-30(14-26-15)21-9-8-16(10-18(21)25)20-12-33-23(27-20)28-22-17-6-4-5-7-19(17)29-31(22)13-24(2,3)32/h8-12,14,32H,4-7,13H2,1-3H3,(H,27,28).
What are the key properties of 1-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol?
1-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol has a molecular weight of 466.59 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-4,5,6,7-tetrahydroindazol-2-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 155533472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).