1,5-dimethyl-3-[[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]indazole

C23H22N6 — CID 50951397

IUPAC1,5-dimethyl-3-[[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]indazole
SMILESCc1ccc2c(c1)c(Cn1cnc(-c3ccccc3)c1-c1cnn(C)c1)nn2C
InChIInChI=1S/C23H22N6/c1-16-9-10-21-19(11-16)20(26-28(21)3)14-29-15-24-22(17-7-5-4-6-8-17)23(29)18-12-25-27(2)13-18/h4-13,15H,14H2,1-3H3
InChIKeyDGIFCOAPOUYOMR-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.19
Rot. Bonds4

About 1,5-dimethyl-3-[[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]indazole

1,5-dimethyl-3-[[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]indazole (PubChem CID 50951397) has the molecular formula C23H22N6 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1,5-dimethyl-3-[[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]indazole.

Molecular Properties

Compound Name1,5-dimethyl-3-[[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]indazole
PubChem CID50951397
Molecular FormulaC23H22N6
Molecular Weight382.47 g/mol
Exact Mass382.19
IUPAC Name1,5-dimethyl-3-[[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]indazole
SMILESCc1ccc2c(c1)c(Cn1cnc(-c3ccccc3)c1-c1cnn(C)c1)nn2C
InChIInChI=1S/C23H22N6/c1-16-9-10-21-19(11-16)20(26-28(21)3)14-29-15-24-22(17-7-5-4-6-8-17)23(29)18-12-25-27(2)13-18/h4-13,15H,14H2,1-3H3
InChIKeyDGIFCOAPOUYOMR-UHFFFAOYSA-N
XLogP4.19
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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2-Amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile
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4-[4-(5-Benzylpyrimidin-2-yl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032839

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-[[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]indazole?
The IUPAC name of 1,5-dimethyl-3-[[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]indazole (CID 50951397) is 1,5-dimethyl-3-[[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]indazole.
What is the SMILES notation for 1,5-dimethyl-3-[[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]indazole?
The canonical SMILES for 1,5-dimethyl-3-[[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]indazole is Cc1ccc2c(c1)c(Cn1cnc(-c3ccccc3)c1-c1cnn(C)c1)nn2C.
What is the InChIKey of 1,5-dimethyl-3-[[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]indazole?
The InChIKey is DGIFCOAPOUYOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6/c1-16-9-10-21-19(11-16)20(26-28(21)3)14-29-15-24-22(17-7-5-4-6-8-17)23(29)18-12-25-27(2)13-18/h4-13,15H,14H2,1-3H3.
What are the key properties of 1,5-dimethyl-3-[[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]indazole?
1,5-dimethyl-3-[[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]indazole has a molecular weight of 382.47 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-[[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]indazole is sourced from PubChem (CID 50951397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).