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

Analyze 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 with MolForge

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Related Compounds

Tak-593
CID 24767976
US11155557, Example 30
CID 138753291
N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 57749112
3-(3-Imidazol-1-yl-propyl)-7-methoxy-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 932398
N-[5-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)-2-methylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 25127857
N-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52935064
N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-4-methylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 57505488
N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-methylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 57505491
N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-ethylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 57505535
N-[5-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)-2-methylphenyl]-1-methyl-1H-pyrazole-5-carboxamide
CID 57749289
2-(6-methoxy-indazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide
CID 71279723
N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288539

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).