3-[3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole

C25H27N7O — CID 164610783

IUPAC3-[3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
SMILESCCOC(C)n1cc(-c2cccc(-c3n[nH]c4ccc(-c5nncn5C(C)C)cc34)c2)cn1
InChIInChI=1S/C25H27N7O/c1-5-33-17(4)32-14-21(13-27-32)18-7-6-8-19(11-18)24-22-12-20(9-10-23(22)28-29-24)25-30-26-15-31(25)16(2)3/h6-17H,5H2,1-4H3,(H,28,29)
InChIKeyWGSDWTTYOCVDFS-UHFFFAOYSA-N
MW441.54 g/mol
LogP5.49
Rot. Bonds7

About 3-[3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole

3-[3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole (PubChem CID 164610783) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 3-[3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole.

Molecular Properties

Compound Name3-[3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
PubChem CID164610783
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name3-[3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
SMILESCCOC(C)n1cc(-c2cccc(-c3n[nH]c4ccc(-c5nncn5C(C)C)cc34)c2)cn1
InChIInChI=1S/C25H27N7O/c1-5-33-17(4)32-14-21(13-27-32)18-7-6-8-19(11-18)24-22-12-20(9-10-23(22)28-29-24)25-30-26-15-31(25)16(2)3/h6-17H,5H2,1-4H3,(H,28,29)
InChIKeyWGSDWTTYOCVDFS-UHFFFAOYSA-N
XLogP5.49
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.54
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole with MolForge

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

Launch Full Analysis

Related Compounds

6-(1H-indol-5-yl)-4-morpholin-4-yl-1-piperidin-4-yl-1H-pyrazolo[3,4-d]pyrimidine
CID 44520824
4-(4-(5-(1-Methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 90401078
Pyrazolo pyrimidine, 5p
CID 44520820
Methyl-((S)-1-phenyl-ethyl)-{(R)-1-[2-(5-[1,2,4]triazol-1-ylmethyl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amine
CID 10670879
5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-yl)-1H-indazole
CID 46890954
Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-1-ylmethyl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amine
CID 11796081
((S)-1-Phenyl-ethyl)-{(S)-1-[2-(5-[1,2,4]triazol-1-ylmethyl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amine
CID 11796807
3-(1H-indol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905188
3-(1H-indol-5-yl)-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905193
CpCDPK1/TgCDPK1-IN-3
CID 24905221
1-cyclopentyl-3-(1-methyl-1H-indol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905222
2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-imidazol-1-yl)-N,N-dimethylethanamine
CID 25165279

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
The IUPAC name of 3-[3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole (CID 164610783) is 3-[3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole.
What is the SMILES notation for 3-[3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
The canonical SMILES for 3-[3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole is CCOC(C)n1cc(-c2cccc(-c3n[nH]c4ccc(-c5nncn5C(C)C)cc34)c2)cn1.
What is the InChIKey of 3-[3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
The InChIKey is WGSDWTTYOCVDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-5-33-17(4)32-14-21(13-27-32)18-7-6-8-19(11-18)24-22-12-20(9-10-23(22)28-29-24)25-30-26-15-31(25)16(2)3/h6-17H,5H2,1-4H3,(H,28,29).
What are the key properties of 3-[3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
3-[3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole has a molecular weight of 441.54 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole is sourced from PubChem (CID 164610783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).