4-cyclopropyl-5-[[5-[4-(2-ethyl-5-methyl-1H-imidazol-4-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole

C26H27N7 — CID 157412606

IUPAC4-cyclopropyl-5-[[5-[4-(2-ethyl-5-methyl-1H-imidazol-4-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole
SMILESCCc1nc(-c2ccc(-c3nc(Cc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)c(C)[nH]1
InChIInChI=1S/C26H27N7/c1-4-22-28-15(2)25(29-22)17-7-9-18(10-8-17)26-30-23(33(3)32-26)13-19-11-12-21-20(14-27-31-21)24(19)16-5-6-16/h7-12,14,16H,4-6,13H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyGHUYEKZWBDDPNG-UHFFFAOYSA-N
MW437.55 g/mol
LogP5.09
Rot. Bonds6

About 4-cyclopropyl-5-[[5-[4-(2-ethyl-5-methyl-1H-imidazol-4-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole

4-cyclopropyl-5-[[5-[4-(2-ethyl-5-methyl-1H-imidazol-4-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole (PubChem CID 157412606) has the molecular formula C26H27N7 and a molecular weight of 437.55 g/mol. Its IUPAC name is 4-cyclopropyl-5-[[5-[4-(2-ethyl-5-methyl-1H-imidazol-4-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole.

Molecular Properties

Compound Name4-cyclopropyl-5-[[5-[4-(2-ethyl-5-methyl-1H-imidazol-4-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole
PubChem CID157412606
Molecular FormulaC26H27N7
Molecular Weight437.55 g/mol
Exact Mass437.23
IUPAC Name4-cyclopropyl-5-[[5-[4-(2-ethyl-5-methyl-1H-imidazol-4-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole
SMILESCCc1nc(-c2ccc(-c3nc(Cc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)c(C)[nH]1
InChIInChI=1S/C26H27N7/c1-4-22-28-15(2)25(29-22)17-7-9-18(10-8-17)26-30-23(33(3)32-26)13-19-11-12-21-20(14-27-31-21)24(19)16-5-6-16/h7-12,14,16H,4-6,13H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyGHUYEKZWBDDPNG-UHFFFAOYSA-N
XLogP5.09
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.55
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-5-[[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]-1H-indazole
CID 160586655
2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 160847165
N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide
CID 160645823
2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 159341447
N-(2-amino-2-methylpropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]benzamide
CID 155792101
N-(2-amino-2-methylpropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate
CID 167552038
2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-pyrrolidin-3-ylacetamide
CID 159331905
N-butan-2-yl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(cyclopropylmethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoro-3-hydroxypropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-dimethylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3-hydroxycyclobutyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-hydroxy-2-methylpropyl)benzamide;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(3,3,3-trifluoropropyl)benzamide
CID 167651382
1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]butan-1-one
CID 159207842
6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
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4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide
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4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[[5-[4-(2-ethyl-5-methyl-1H-imidazol-4-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole?
The IUPAC name of 4-cyclopropyl-5-[[5-[4-(2-ethyl-5-methyl-1H-imidazol-4-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole (CID 157412606) is 4-cyclopropyl-5-[[5-[4-(2-ethyl-5-methyl-1H-imidazol-4-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole.
What is the SMILES notation for 4-cyclopropyl-5-[[5-[4-(2-ethyl-5-methyl-1H-imidazol-4-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole?
The canonical SMILES for 4-cyclopropyl-5-[[5-[4-(2-ethyl-5-methyl-1H-imidazol-4-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole is CCc1nc(-c2ccc(-c3nc(Cc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)c(C)[nH]1.
What is the InChIKey of 4-cyclopropyl-5-[[5-[4-(2-ethyl-5-methyl-1H-imidazol-4-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole?
The InChIKey is GHUYEKZWBDDPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7/c1-4-22-28-15(2)25(29-22)17-7-9-18(10-8-17)26-30-23(33(3)32-26)13-19-11-12-21-20(14-27-31-21)24(19)16-5-6-16/h7-12,14,16H,4-6,13H2,1-3H3,(H,27,31)(H,28,29).
What are the key properties of 4-cyclopropyl-5-[[5-[4-(2-ethyl-5-methyl-1H-imidazol-4-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole?
4-cyclopropyl-5-[[5-[4-(2-ethyl-5-methyl-1H-imidazol-4-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole has a molecular weight of 437.55 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[[5-[4-(2-ethyl-5-methyl-1H-imidazol-4-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole is sourced from PubChem (CID 157412606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).