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

C24H21FN6 — CID 162653238

IUPAC2-fluoro-N-[[4-(1-methylindazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline
SMILESCc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3c(cnn3C)c2)n1
InChIInChI=1S/C24H21FN6/c1-15-6-5-9-20(28-15)24-23(16-10-11-21-17(12-16)13-27-31(21)2)29-22(30-24)14-26-19-8-4-3-7-18(19)25/h3-13,26H,14H2,1-2H3,(H,29,30)
InChIKeyTVJUAWATEKXUSU-UHFFFAOYSA-N
MW412.47 g/mol
LogP5.09
Rot. Bonds5

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

2-fluoro-N-[[4-(1-methylindazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline (PubChem CID 162653238) has the molecular formula C24H21FN6 and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-fluoro-N-[[4-(1-methylindazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[[4-(1-methylindazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline
PubChem CID162653238
Molecular FormulaC24H21FN6
Molecular Weight412.47 g/mol
Exact Mass412.18
IUPAC Name2-fluoro-N-[[4-(1-methylindazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline
SMILESCc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3c(cnn3C)c2)n1
InChIInChI=1S/C24H21FN6/c1-15-6-5-9-20(28-15)24-23(16-10-11-21-17(12-16)13-27-31(21)2)29-22(30-24)14-26-19-8-4-3-7-18(19)25/h3-13,26H,14H2,1-2H3,(H,29,30)
InChIKeyTVJUAWATEKXUSU-UHFFFAOYSA-N
XLogP5.09
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[4-(1-methylindazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline?
The IUPAC name of 2-fluoro-N-[[4-(1-methylindazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline (CID 162653238) is 2-fluoro-N-[[4-(1-methylindazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline.
What is the SMILES notation for 2-fluoro-N-[[4-(1-methylindazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline?
The canonical SMILES for 2-fluoro-N-[[4-(1-methylindazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline is Cc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3c(cnn3C)c2)n1.
What is the InChIKey of 2-fluoro-N-[[4-(1-methylindazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline?
The InChIKey is TVJUAWATEKXUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6/c1-15-6-5-9-20(28-15)24-23(16-10-11-21-17(12-16)13-27-31(21)2)29-22(30-24)14-26-19-8-4-3-7-18(19)25/h3-13,26H,14H2,1-2H3,(H,29,30).
What are the key properties of 2-fluoro-N-[[4-(1-methylindazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline?
2-fluoro-N-[[4-(1-methylindazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline has a molecular weight of 412.47 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[4-(1-methylindazol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]aniline is sourced from PubChem (CID 162653238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).