2-ethyl-N-[5-[[3-[2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]oxy]-2-methylphenyl]-5-methylpyrazole-3-carboxamide

C26H25N7O2 — CID 136614012

IUPAC2-ethyl-N-[5-[[3-[2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]oxy]-2-methylphenyl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cc(Oc2ccc3c(C=Cc4ncc[nH]4)n[nH]c3c2)ccc1C
InChIInChI=1S/C26H25N7O2/c1-4-33-24(13-17(3)32-33)26(34)29-22-14-18(6-5-16(22)2)35-19-7-8-20-21(30-31-23(20)15-19)9-10-25-27-11-12-28-25/h5-15H,4H2,1-3H3,(H,27,28)(H,29,34)(H,30,31)
InChIKeyULKIVMNGSVVPBT-UHFFFAOYSA-N
MW467.53 g/mol
LogP5.33
Rot. Bonds7

About 2-ethyl-N-[5-[[3-[2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]oxy]-2-methylphenyl]-5-methylpyrazole-3-carboxamide

2-ethyl-N-[5-[[3-[2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]oxy]-2-methylphenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 136614012) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-ethyl-N-[5-[[3-[2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]oxy]-2-methylphenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[5-[[3-[2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]oxy]-2-methylphenyl]-5-methylpyrazole-3-carboxamide
PubChem CID136614012
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name2-ethyl-N-[5-[[3-[2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]oxy]-2-methylphenyl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cc(Oc2ccc3c(C=Cc4ncc[nH]4)n[nH]c3c2)ccc1C
InChIInChI=1S/C26H25N7O2/c1-4-33-24(13-17(3)32-33)26(34)29-22-14-18(6-5-16(22)2)35-19-7-8-20-21(30-31-23(20)15-19)9-10-25-27-11-12-28-25/h5-15H,4H2,1-3H3,(H,27,28)(H,29,34)(H,30,31)
InChIKeyULKIVMNGSVVPBT-UHFFFAOYSA-N
XLogP5.33
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-N-[5-[[3-[2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]oxy]-2-methylphenyl]-5-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[5-[[3-[2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]oxy]-2-methylphenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[5-[[3-[2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]oxy]-2-methylphenyl]-5-methylpyrazole-3-carboxamide (CID 136614012) is 2-ethyl-N-[5-[[3-[2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]oxy]-2-methylphenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[5-[[3-[2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]oxy]-2-methylphenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[5-[[3-[2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]oxy]-2-methylphenyl]-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1cc(Oc2ccc3c(C=Cc4ncc[nH]4)n[nH]c3c2)ccc1C.
What is the InChIKey of 2-ethyl-N-[5-[[3-[2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]oxy]-2-methylphenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is ULKIVMNGSVVPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-4-33-24(13-17(3)32-33)26(34)29-22-14-18(6-5-16(22)2)35-19-7-8-20-21(30-31-23(20)15-19)9-10-25-27-11-12-28-25/h5-15H,4H2,1-3H3,(H,27,28)(H,29,34)(H,30,31).
What are the key properties of 2-ethyl-N-[5-[[3-[2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]oxy]-2-methylphenyl]-5-methylpyrazole-3-carboxamide?
2-ethyl-N-[5-[[3-[2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]oxy]-2-methylphenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 5.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[5-[[3-[2-(1H-imidazol-2-yl)ethenyl]-1H-indazol-6-yl]oxy]-2-methylphenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136614012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).