2-ethyl-5-methyl-N-[3-[[3-[(E)-2-(2-methyl-1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide

C26H25N7O2 — CID 135779171

IUPAC2-ethyl-5-methyl-N-[3-[[3-[(E)-2-(2-methyl-1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4cnc(C)[nH]4)n[nH]c3c2)c1
InChIInChI=1S/C26H25N7O2/c1-4-33-25(12-16(2)32-33)26(34)29-18-6-5-7-20(13-18)35-21-9-10-22-23(30-31-24(22)14-21)11-8-19-15-27-17(3)28-19/h5-15H,4H2,1-3H3,(H,27,28)(H,29,34)(H,30,31)/b11-8+
InChIKeyNVWFDCNGKKEFKO-DHZHZOJOSA-N
MW467.53 g/mol
LogP5.33
Rot. Bonds7

About 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-(2-methyl-1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide

2-ethyl-5-methyl-N-[3-[[3-[(E)-2-(2-methyl-1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide (PubChem CID 135779171) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-(2-methyl-1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[3-[[3-[(E)-2-(2-methyl-1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide
PubChem CID135779171
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name2-ethyl-5-methyl-N-[3-[[3-[(E)-2-(2-methyl-1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4cnc(C)[nH]4)n[nH]c3c2)c1
InChIInChI=1S/C26H25N7O2/c1-4-33-25(12-16(2)32-33)26(34)29-18-6-5-7-20(13-18)35-21-9-10-22-23(30-31-24(22)14-21)11-8-19-15-27-17(3)28-19/h5-15H,4H2,1-3H3,(H,27,28)(H,29,34)(H,30,31)/b11-8+
InChIKeyNVWFDCNGKKEFKO-DHZHZOJOSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-(2-methyl-1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-(2-methyl-1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide (CID 135779171) is 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-(2-methyl-1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-(2-methyl-1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-(2-methyl-1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4cnc(C)[nH]4)n[nH]c3c2)c1.
What is the InChIKey of 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-(2-methyl-1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide?
The InChIKey is NVWFDCNGKKEFKO-DHZHZOJOSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-4-33-25(12-16(2)32-33)26(34)29-18-6-5-7-20(13-18)35-21-9-10-22-23(30-31-24(22)14-21)11-8-19-15-27-17(3)28-19/h5-15H,4H2,1-3H3,(H,27,28)(H,29,34)(H,30,31)/b11-8+.
What are the key properties of 2-ethyl-5-methyl-N-[3-[[3-[(E)-2-(2-methyl-1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-[3-[[3-[(E)-2-(2-methyl-1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-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-5-methyl-N-[3-[[3-[(E)-2-(2-methyl-1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 135779171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).