N-[[1-[4-(1H-indazol-5-yl)-6-methyl-2-pyridinyl]imidazol-2-yl]methyl]-2-methylaniline

C24H22N6 — CID 175350095

IUPACN-[[1-[4-(1H-indazol-5-yl)-6-methyl-2-pyridinyl]imidazol-2-yl]methyl]-2-methylaniline
SMILESCc1cc(-c2ccc3[nH]ncc3c2)cc(-n2ccnc2CNc2ccccc2C)n1
InChIInChI=1S/C24H22N6/c1-16-5-3-4-6-21(16)26-15-24-25-9-10-30(24)23-13-19(11-17(2)28-23)18-7-8-22-20(12-18)14-27-29-22/h3-14,26H,15H2,1-2H3,(H,27,29)
InChIKeyWTXDIJSGLGGVMQ-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.04
Rot. Bonds5

About N-[[1-[4-(1H-indazol-5-yl)-6-methyl-2-pyridinyl]imidazol-2-yl]methyl]-2-methylaniline

N-[[1-[4-(1H-indazol-5-yl)-6-methyl-2-pyridinyl]imidazol-2-yl]methyl]-2-methylaniline (PubChem CID 175350095) has the molecular formula C24H22N6 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[[1-[4-(1H-indazol-5-yl)-6-methyl-2-pyridinyl]imidazol-2-yl]methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[[1-[4-(1H-indazol-5-yl)-6-methyl-2-pyridinyl]imidazol-2-yl]methyl]-2-methylaniline
PubChem CID175350095
Molecular FormulaC24H22N6
Molecular Weight394.48 g/mol
Exact Mass394.19
IUPAC NameN-[[1-[4-(1H-indazol-5-yl)-6-methyl-2-pyridinyl]imidazol-2-yl]methyl]-2-methylaniline
SMILESCc1cc(-c2ccc3[nH]ncc3c2)cc(-n2ccnc2CNc2ccccc2C)n1
InChIInChI=1S/C24H22N6/c1-16-5-3-4-6-21(16)26-15-24-25-9-10-30(24)23-13-19(11-17(2)28-23)18-7-8-22-20(12-18)14-27-29-22/h3-14,26H,15H2,1-2H3,(H,27,29)
InChIKeyWTXDIJSGLGGVMQ-UHFFFAOYSA-N
XLogP5.04
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(1H-indazol-5-yl)-6-methyl-2-pyridinyl]imidazol-2-yl]methyl]-2-methylaniline?
The IUPAC name of N-[[1-[4-(1H-indazol-5-yl)-6-methyl-2-pyridinyl]imidazol-2-yl]methyl]-2-methylaniline (CID 175350095) is N-[[1-[4-(1H-indazol-5-yl)-6-methyl-2-pyridinyl]imidazol-2-yl]methyl]-2-methylaniline.
What is the SMILES notation for N-[[1-[4-(1H-indazol-5-yl)-6-methyl-2-pyridinyl]imidazol-2-yl]methyl]-2-methylaniline?
The canonical SMILES for N-[[1-[4-(1H-indazol-5-yl)-6-methyl-2-pyridinyl]imidazol-2-yl]methyl]-2-methylaniline is Cc1cc(-c2ccc3[nH]ncc3c2)cc(-n2ccnc2CNc2ccccc2C)n1.
What is the InChIKey of N-[[1-[4-(1H-indazol-5-yl)-6-methyl-2-pyridinyl]imidazol-2-yl]methyl]-2-methylaniline?
The InChIKey is WTXDIJSGLGGVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6/c1-16-5-3-4-6-21(16)26-15-24-25-9-10-30(24)23-13-19(11-17(2)28-23)18-7-8-22-20(12-18)14-27-29-22/h3-14,26H,15H2,1-2H3,(H,27,29).
What are the key properties of N-[[1-[4-(1H-indazol-5-yl)-6-methyl-2-pyridinyl]imidazol-2-yl]methyl]-2-methylaniline?
N-[[1-[4-(1H-indazol-5-yl)-6-methyl-2-pyridinyl]imidazol-2-yl]methyl]-2-methylaniline has a molecular weight of 394.48 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(1H-indazol-5-yl)-6-methyl-2-pyridinyl]imidazol-2-yl]methyl]-2-methylaniline is sourced from PubChem (CID 175350095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).