6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one

C24H26N6O2 — CID 126929967

IUPAC6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)Cc4cn(C)c5ccccc45)C3)n2)n1
InChIInChI=1S/C24H26N6O2/c1-16-10-17(2)30(25-16)22-8-9-23(31)29(26-22)14-18-12-28(13-18)24(32)11-19-15-27(3)21-7-5-4-6-20(19)21/h4-10,15,18H,11-14H2,1-3H3
InChIKeyAVMLXPLKOCIUDW-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.24
Rot. Bonds5

About 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126929967) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126929967
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)Cc4cn(C)c5ccccc45)C3)n2)n1
InChIInChI=1S/C24H26N6O2/c1-16-10-17(2)30(25-16)22-8-9-23(31)29(26-22)14-18-12-28(13-18)24(32)11-19-15-27(3)21-7-5-4-6-20(19)21/h4-10,15,18H,11-14H2,1-3H3
InChIKeyAVMLXPLKOCIUDW-UHFFFAOYSA-N
XLogP2.24
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126929967) is 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)Cc4cn(C)c5ccccc45)C3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is AVMLXPLKOCIUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-16-10-17(2)30(25-16)22-8-9-23(31)29(26-22)14-18-12-28(13-18)24(32)11-19-15-27(3)21-7-5-4-6-20(19)21/h4-10,15,18H,11-14H2,1-3H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one?
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 430.51 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126929967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).