4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine

C26H30FN7S — CID 155540955

IUPAC4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1cn(-c2ccc(-c3csc(Nc4c5c(nn4C4CCN(C)CC4)CCCC5)n3)cc2F)cn1
InChIInChI=1S/C26H30FN7S/c1-17-14-33(16-28-17)24-8-7-18(13-21(24)27)23-15-35-26(29-23)30-25-20-5-3-4-6-22(20)31-34(25)19-9-11-32(2)12-10-19/h7-8,13-16,19H,3-6,9-12H2,1-2H3,(H,29,30)
InChIKeyLFXAXDPRBGLNHS-UHFFFAOYSA-N
MW491.64 g/mol
LogP5.53
Rot. Bonds5

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

4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 155540955) has the molecular formula C26H30FN7S and a molecular weight of 491.64 g/mol. Its IUPAC name is 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
PubChem CID155540955
Molecular FormulaC26H30FN7S
Molecular Weight491.64 g/mol
Exact Mass491.23
IUPAC Name4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1cn(-c2ccc(-c3csc(Nc4c5c(nn4C4CCN(C)CC4)CCCC5)n3)cc2F)cn1
InChIInChI=1S/C26H30FN7S/c1-17-14-33(16-28-17)24-8-7-18(13-21(24)27)23-15-35-26(29-23)30-25-20-5-3-4-6-22(20)31-34(25)19-9-11-32(2)12-10-19/h7-8,13-16,19H,3-6,9-12H2,1-2H3,(H,29,30)
InChIKeyLFXAXDPRBGLNHS-UHFFFAOYSA-N
XLogP5.53
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

Thiazole derivative 4
CID 73891136
7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 138571253
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2898055
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
N-(4-methylphenyl)-4-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-amine
CID 2408495
4-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2573156
3-(2-Fluorobenzyl)-7-(2-thiazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine
CID 9858578
4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine dihydrobromide
CID 11958912
1-(2-Fluorobenzyl)-4-(2-thiazolyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015509
N-cyclohexyl-6-(1H-indazol-5-yl)imidazo[2,1-b]thiazol-5-amine
CID 25166869
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-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70695370

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine (CID 155540955) is 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine is Cc1cn(-c2ccc(-c3csc(Nc4c5c(nn4C4CCN(C)CC4)CCCC5)n3)cc2F)cn1.
What is the InChIKey of 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is LFXAXDPRBGLNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7S/c1-17-14-33(16-28-17)24-8-7-18(13-21(24)27)23-15-35-26(29-23)30-25-20-5-3-4-6-22(20)31-34(25)19-9-11-32(2)12-10-19/h7-8,13-16,19H,3-6,9-12H2,1-2H3,(H,29,30).
What are the key properties of 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine?
4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 491.64 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-[2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydroindazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155540955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).