5-(1-methylimidazol-2-yl)-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole

C22H20N6 — CID 118974284

IUPAC5-(1-methylimidazol-2-yl)-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(-c5nccn5C)cc34)cc2)cn1
InChIInChI=1S/C22H20N6/c1-27-10-9-23-22(27)17-7-8-20-19(12-17)21(26-25-20)11-15-3-5-16(6-4-15)18-13-24-28(2)14-18/h3-10,12-14H,11H2,1-2H3,(H,25,26)
InChIKeyBGVLCUOYRCTJCU-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.95
Rot. Bonds4

About 5-(1-methylimidazol-2-yl)-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole

5-(1-methylimidazol-2-yl)-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole (PubChem CID 118974284) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-(1-methylimidazol-2-yl)-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole.

Molecular Properties

Compound Name5-(1-methylimidazol-2-yl)-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole
PubChem CID118974284
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name5-(1-methylimidazol-2-yl)-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(-c5nccn5C)cc34)cc2)cn1
InChIInChI=1S/C22H20N6/c1-27-10-9-23-22(27)17-7-8-20-19(12-17)21(26-25-20)11-15-3-5-16(6-4-15)18-13-24-28(2)14-18/h3-10,12-14H,11H2,1-2H3,(H,25,26)
InChIKeyBGVLCUOYRCTJCU-UHFFFAOYSA-N
XLogP3.95
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazol-2-yl)-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole?
The IUPAC name of 5-(1-methylimidazol-2-yl)-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole (CID 118974284) is 5-(1-methylimidazol-2-yl)-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole.
What is the SMILES notation for 5-(1-methylimidazol-2-yl)-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole?
The canonical SMILES for 5-(1-methylimidazol-2-yl)-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole is Cn1cc(-c2ccc(Cc3[nH]nc4ccc(-c5nccn5C)cc34)cc2)cn1.
What is the InChIKey of 5-(1-methylimidazol-2-yl)-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole?
The InChIKey is BGVLCUOYRCTJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-27-10-9-23-22(27)17-7-8-20-19(12-17)21(26-25-20)11-15-3-5-16(6-4-15)18-13-24-28(2)14-18/h3-10,12-14H,11H2,1-2H3,(H,25,26).
What are the key properties of 5-(1-methylimidazol-2-yl)-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole?
5-(1-methylimidazol-2-yl)-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole has a molecular weight of 368.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazol-2-yl)-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole is sourced from PubChem (CID 118974284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).