3-[5-methyl-4-[(Z)-1-pyridin-3-ylbut-1-enyl]-1H-imidazol-2-yl]-1H-indazole

C20H19N5 — CID 144667702

IUPAC3-[5-methyl-4-[(Z)-1-pyridin-3-ylbut-1-enyl]-1H-imidazol-2-yl]-1H-indazole
SMILESCC/C=C(/c1cccnc1)c1nc(-c2n[nH]c3ccccc23)[nH]c1C
InChIInChI=1S/C20H19N5/c1-3-7-15(14-8-6-11-21-12-14)18-13(2)22-20(23-18)19-16-9-4-5-10-17(16)24-25-19/h4-12H,3H2,1-2H3,(H,22,23)(H,24,25)/b15-7-
InChIKeyCUTDGWJMIYFREH-CHHVJCJISA-N
MW329.41 g/mol
LogP4.50
Rot. Bonds4

About 3-[5-methyl-4-[(Z)-1-pyridin-3-ylbut-1-enyl]-1H-imidazol-2-yl]-1H-indazole

3-[5-methyl-4-[(Z)-1-pyridin-3-ylbut-1-enyl]-1H-imidazol-2-yl]-1H-indazole (PubChem CID 144667702) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 3-[5-methyl-4-[(Z)-1-pyridin-3-ylbut-1-enyl]-1H-imidazol-2-yl]-1H-indazole.

Molecular Properties

Compound Name3-[5-methyl-4-[(Z)-1-pyridin-3-ylbut-1-enyl]-1H-imidazol-2-yl]-1H-indazole
PubChem CID144667702
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name3-[5-methyl-4-[(Z)-1-pyridin-3-ylbut-1-enyl]-1H-imidazol-2-yl]-1H-indazole
SMILESCC/C=C(/c1cccnc1)c1nc(-c2n[nH]c3ccccc23)[nH]c1C
InChIInChI=1S/C20H19N5/c1-3-7-15(14-8-6-11-21-12-14)18-13(2)22-20(23-18)19-16-9-4-5-10-17(16)24-25-19/h4-12H,3H2,1-2H3,(H,22,23)(H,24,25)/b15-7-
InChIKeyCUTDGWJMIYFREH-CHHVJCJISA-N
XLogP4.50
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
(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
3-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-pyrazin-2-yl-1H-indazole
CID 145036073
2-(1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820355
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-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole
CID 135804563
(2Z)-2-[2-[5-[(Z)-1-(2-ethenylphenyl)prop-1-enyl]-1H-indazol-3-yl]-5-methyl-1H-imidazol-4-yl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 144667639
N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide
CID 135453513
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
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
3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
CID 61349375
N-[5-[3-[4-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-methyl-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 139325843

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-4-[(Z)-1-pyridin-3-ylbut-1-enyl]-1H-imidazol-2-yl]-1H-indazole?
The IUPAC name of 3-[5-methyl-4-[(Z)-1-pyridin-3-ylbut-1-enyl]-1H-imidazol-2-yl]-1H-indazole (CID 144667702) is 3-[5-methyl-4-[(Z)-1-pyridin-3-ylbut-1-enyl]-1H-imidazol-2-yl]-1H-indazole.
What is the SMILES notation for 3-[5-methyl-4-[(Z)-1-pyridin-3-ylbut-1-enyl]-1H-imidazol-2-yl]-1H-indazole?
The canonical SMILES for 3-[5-methyl-4-[(Z)-1-pyridin-3-ylbut-1-enyl]-1H-imidazol-2-yl]-1H-indazole is CC/C=C(/c1cccnc1)c1nc(-c2n[nH]c3ccccc23)[nH]c1C.
What is the InChIKey of 3-[5-methyl-4-[(Z)-1-pyridin-3-ylbut-1-enyl]-1H-imidazol-2-yl]-1H-indazole?
The InChIKey is CUTDGWJMIYFREH-CHHVJCJISA-N. The full InChI is InChI=1S/C20H19N5/c1-3-7-15(14-8-6-11-21-12-14)18-13(2)22-20(23-18)19-16-9-4-5-10-17(16)24-25-19/h4-12H,3H2,1-2H3,(H,22,23)(H,24,25)/b15-7-.
What are the key properties of 3-[5-methyl-4-[(Z)-1-pyridin-3-ylbut-1-enyl]-1H-imidazol-2-yl]-1H-indazole?
3-[5-methyl-4-[(Z)-1-pyridin-3-ylbut-1-enyl]-1H-imidazol-2-yl]-1H-indazole has a molecular weight of 329.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-4-[(Z)-1-pyridin-3-ylbut-1-enyl]-1H-imidazol-2-yl]-1H-indazole is sourced from PubChem (CID 144667702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).