3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole

C24H25N5S — CID 145036651

IUPAC3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole
SMILESC=C/C=C(/c1ccsc1)c1nc(-c2n[nH]c3ccc(C4CCNCC4)cc23)[nH]c1C
InChIInChI=1S/C24H25N5S/c1-3-4-19(18-9-12-30-14-18)22-15(2)26-24(27-22)23-20-13-17(5-6-21(20)28-29-23)16-7-10-25-11-8-16/h3-6,9,12-14,16,25H,1,7-8,10-11H2,2H3,(H,26,27)(H,28,29)/b19-4-
InChIKeyMMUVRJSZLMYLHE-PVOVUMCXSA-N
MW415.57 g/mol
LogP5.41
Rot. Bonds5

About 3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole

3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole (PubChem CID 145036651) has the molecular formula C24H25N5S and a molecular weight of 415.57 g/mol. Its IUPAC name is 3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole.

Molecular Properties

Compound Name3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole
PubChem CID145036651
Molecular FormulaC24H25N5S
Molecular Weight415.57 g/mol
Exact Mass415.18
IUPAC Name3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole
SMILESC=C/C=C(/c1ccsc1)c1nc(-c2n[nH]c3ccc(C4CCNCC4)cc23)[nH]c1C
InChIInChI=1S/C24H25N5S/c1-3-4-19(18-9-12-30-14-18)22-15(2)26-24(27-22)23-20-13-17(5-6-21(20)28-29-23)16-7-10-25-11-8-16/h3-6,9,12-14,16,25H,1,7-8,10-11H2,2H3,(H,26,27)(H,28,29)/b19-4-
InChIKeyMMUVRJSZLMYLHE-PVOVUMCXSA-N
XLogP5.41
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.57
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole
CID 145037062
N-(1-cyclopentylethenyl)-5-[3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 145253319
3-[5-methyl-4-[(1E)-1-thiophen-2-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 145038205
3-[4-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole
CID 145036762
3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 145038002
3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine
CID 145253097
3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-pyrazin-2-yl-1H-indazole
CID 145036073
(3E,5E)-5-[3-[4-[(1Z)-1-cyclopenta-1,4-dien-1-ylbuta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]-N,N-dimethylhepta-1,3,5-trien-3-amine
CID 145036482
5-[3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145036747
2-(5-piperidin-4-yl-1H-indazol-3-yl)-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
CID 136936825
3-[(E,1E)-1-[5-methylidene-3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-4-ylidene]but-2-en-2-yl]-5-(3-pyrrolidin-1-ylpropyl)pyridine
CID 145037928
2,3-dimethyl-5-piperidin-4-yl-1H-indole
CID 82391168

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole?
The IUPAC name of 3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole (CID 145036651) is 3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole.
What is the SMILES notation for 3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole?
The canonical SMILES for 3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole is C=C/C=C(/c1ccsc1)c1nc(-c2n[nH]c3ccc(C4CCNCC4)cc23)[nH]c1C.
What is the InChIKey of 3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole?
The InChIKey is MMUVRJSZLMYLHE-PVOVUMCXSA-N. The full InChI is InChI=1S/C24H25N5S/c1-3-4-19(18-9-12-30-14-18)22-15(2)26-24(27-22)23-20-13-17(5-6-21(20)28-29-23)16-7-10-25-11-8-16/h3-6,9,12-14,16,25H,1,7-8,10-11H2,2H3,(H,26,27)(H,28,29)/b19-4-.
What are the key properties of 3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole?
3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole has a molecular weight of 415.57 g/mol, XLogP of 5.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-4-[(1Z)-1-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole is sourced from PubChem (CID 145036651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).