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

C25H26N6 — CID 145037062

IUPAC3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole
SMILESC=C/C=C(/c1cccnc1)c1nc(-c2n[nH]c3ccc(C4CCNCC4)cc23)[nH]c1C
InChIInChI=1S/C25H26N6/c1-3-5-20(19-6-4-11-27-15-19)23-16(2)28-25(29-23)24-21-14-18(7-8-22(21)30-31-24)17-9-12-26-13-10-17/h3-8,11,14-15,17,26H,1,9-10,12-13H2,2H3,(H,28,29)(H,30,31)/b20-5-
InChIKeySHNMTMCHWOYCQN-SDPNRITHSA-N
MW410.53 g/mol
LogP4.74
Rot. Bonds5

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

3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole (PubChem CID 145037062) has the molecular formula C25H26N6 and a molecular weight of 410.53 g/mol. Its IUPAC name is 3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole.

Molecular Properties

Compound Name3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole
PubChem CID145037062
Molecular FormulaC25H26N6
Molecular Weight410.53 g/mol
Exact Mass410.22
IUPAC Name3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole
SMILESC=C/C=C(/c1cccnc1)c1nc(-c2n[nH]c3ccc(C4CCNCC4)cc23)[nH]c1C
InChIInChI=1S/C25H26N6/c1-3-5-20(19-6-4-11-27-15-19)23-16(2)28-25(29-23)24-21-14-18(7-8-22(21)30-31-24)17-9-12-26-13-10-17/h3-8,11,14-15,17,26H,1,9-10,12-13H2,2H3,(H,28,29)(H,30,31)/b20-5-
InChIKeySHNMTMCHWOYCQN-SDPNRITHSA-N
XLogP4.74
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.74
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-thiophen-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole
CID 145036651
3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-pyrazin-2-yl-1H-indazole
CID 145036073
3-[5-methyl-4-[(Z)-1-pyridin-3-ylbut-1-enyl]-1H-imidazol-2-yl]-1H-indazole
CID 144667702
2-(5-piperidin-4-yl-1H-indazol-3-yl)-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
CID 136937956
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
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
(3E,5E)-5-[3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylhepta-1,3,5-trien-3-amine
CID 145253506
2-(5-piperidin-4-yl-1H-indazol-3-yl)-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
CID 136936825
5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 145035290
N-(3-cyclohexylprop-1-en-2-yl)-5-[(E,4E)-4-[4-methylidene-3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-5-ylidene]but-2-en-2-yl]pyridin-3-amine;ethane
CID 145252916
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

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-4-[(1Z)-1-pyridin-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-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole (CID 145037062) is 3-[5-methyl-4-[(1Z)-1-pyridin-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-pyridin-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-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole is C=C/C=C(/c1cccnc1)c1nc(-c2n[nH]c3ccc(C4CCNCC4)cc23)[nH]c1C.
What is the InChIKey of 3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole?
The InChIKey is SHNMTMCHWOYCQN-SDPNRITHSA-N. The full InChI is InChI=1S/C25H26N6/c1-3-5-20(19-6-4-11-27-15-19)23-16(2)28-25(29-23)24-21-14-18(7-8-22(21)30-31-24)17-9-12-26-13-10-17/h3-8,11,14-15,17,26H,1,9-10,12-13H2,2H3,(H,28,29)(H,30,31)/b20-5-.
What are the key properties of 3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole?
3-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole has a molecular weight of 410.53 g/mol, XLogP of 4.74, 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-pyridin-3-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-5-piperidin-4-yl-1H-indazole is sourced from PubChem (CID 145037062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).