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

C23H19FN6 — CID 162661953

IUPAC3-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline
SMILESCc1cccc(-c2[nH]c(CNc3cccc(F)c3)nc2-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C23H19FN6/c1-14-4-2-7-20(27-14)23-22(15-8-9-19-16(10-15)12-26-30-19)28-21(29-23)13-25-18-6-3-5-17(24)11-18/h2-12,25H,13H2,1H3,(H,26,30)(H,28,29)
InChIKeyJXKHBWPSMRRQQD-UHFFFAOYSA-N
MW398.45 g/mol
LogP5.07
Rot. Bonds5

About 3-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline

3-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline (PubChem CID 162661953) has the molecular formula C23H19FN6 and a molecular weight of 398.45 g/mol. Its IUPAC name is 3-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline
PubChem CID162661953
Molecular FormulaC23H19FN6
Molecular Weight398.45 g/mol
Exact Mass398.17
IUPAC Name3-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline
SMILESCc1cccc(-c2[nH]c(CNc3cccc(F)c3)nc2-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C23H19FN6/c1-14-4-2-7-20(27-14)23-22(15-8-9-19-16(10-15)12-26-30-19)28-21(29-23)13-25-18-6-3-5-17(24)11-18/h2-12,25H,13H2,1H3,(H,26,30)(H,28,29)
InChIKeyJXKHBWPSMRRQQD-UHFFFAOYSA-N
XLogP5.07
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.45
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline?
The IUPAC name of 3-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline (CID 162661953) is 3-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline.
What is the SMILES notation for 3-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline?
The canonical SMILES for 3-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline is Cc1cccc(-c2[nH]c(CNc3cccc(F)c3)nc2-c2ccc3[nH]ncc3c2)n1.
What is the InChIKey of 3-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline?
The InChIKey is JXKHBWPSMRRQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6/c1-14-4-2-7-20(27-14)23-22(15-8-9-19-16(10-15)12-26-30-19)28-21(29-23)13-25-18-6-3-5-17(24)11-18/h2-12,25H,13H2,1H3,(H,26,30)(H,28,29).
What are the key properties of 3-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline?
3-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline has a molecular weight of 398.45 g/mol, XLogP of 5.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline is sourced from PubChem (CID 162661953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).