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

C23H19FN6 — CID 162662744

IUPAC2-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline
SMILESCc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C23H19FN6/c1-14-5-4-8-20(27-14)23-22(15-9-10-18-16(11-15)12-26-30-18)28-21(29-23)13-25-19-7-3-2-6-17(19)24/h2-12,25H,13H2,1H3,(H,26,30)(H,28,29)
InChIKeyFIGWQDHDUNOAHY-UHFFFAOYSA-N
MW398.45 g/mol
LogP5.07
Rot. Bonds5

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

2-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline (PubChem CID 162662744) has the molecular formula C23H19FN6 and a molecular weight of 398.45 g/mol. Its IUPAC name is 2-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline
PubChem CID162662744
Molecular FormulaC23H19FN6
Molecular Weight398.45 g/mol
Exact Mass398.17
IUPAC Name2-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline
SMILESCc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C23H19FN6/c1-14-5-4-8-20(27-14)23-22(15-9-10-18-16(11-15)12-26-30-18)28-21(29-23)13-25-19-7-3-2-6-17(19)24/h2-12,25H,13H2,1H3,(H,26,30)(H,28,29)
InChIKeyFIGWQDHDUNOAHY-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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline?
The IUPAC name of 2-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline (CID 162662744) is 2-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline.
What is the SMILES notation for 2-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline?
The canonical SMILES for 2-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline is Cc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3[nH]ncc3c2)n1.
What is the InChIKey of 2-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline?
The InChIKey is FIGWQDHDUNOAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6/c1-14-5-4-8-20(27-14)23-22(15-9-10-18-16(11-15)12-26-30-18)28-21(29-23)13-25-19-7-3-2-6-17(19)24/h2-12,25H,13H2,1H3,(H,26,30)(H,28,29).
What are the key properties of 2-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline?
2-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 2-fluoro-N-[[4-(1H-indazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline is sourced from PubChem (CID 162662744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).