N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine

C26H26N6 — CID 135992306

IUPACN-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4nc(-c5ccccc5)c(C)[nH]4)c3c2)c1C
InChIInChI=1S/C26H26N6/c1-4-27-13-20-14-28-15-22(16(20)2)19-10-11-23-21(12-19)25(32-31-23)26-29-17(3)24(30-26)18-8-6-5-7-9-18/h5-12,14-15,27H,4,13H2,1-3H3,(H,29,30)(H,31,32)
InChIKeyWJTKTXSOYVLLTQ-UHFFFAOYSA-N
MW422.54 g/mol
LogP5.41
Rot. Bonds6

About N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine

N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 135992306) has the molecular formula C26H26N6 and a molecular weight of 422.54 g/mol. Its IUPAC name is N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
PubChem CID135992306
Molecular FormulaC26H26N6
Molecular Weight422.54 g/mol
Exact Mass422.22
IUPAC NameN-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4nc(-c5ccccc5)c(C)[nH]4)c3c2)c1C
InChIInChI=1S/C26H26N6/c1-4-27-13-20-14-28-15-22(16(20)2)19-10-11-23-21(12-19)25(32-31-23)26-29-17(3)24(30-26)18-8-6-5-7-9-18/h5-12,14-15,27H,4,13H2,1-3H3,(H,29,30)(H,31,32)
InChIKeyWJTKTXSOYVLLTQ-UHFFFAOYSA-N
XLogP5.41
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.54
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (CID 135992306) is N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2ccc3[nH]nc(-c4nc(-c5ccccc5)c(C)[nH]4)c3c2)c1C.
What is the InChIKey of N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
The InChIKey is WJTKTXSOYVLLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6/c1-4-27-13-20-14-28-15-22(16(20)2)19-10-11-23-21(12-19)25(32-31-23)26-29-17(3)24(30-26)18-8-6-5-7-9-18/h5-12,14-15,27H,4,13H2,1-3H3,(H,29,30)(H,31,32).
What are the key properties of N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?
N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 422.54 g/mol, XLogP of 5.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-5-[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 135992306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).