5-[methoxy(methyl)phosphoryl]oxy-3-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-indol-2-yl]-2H-indazole

C24H32N5O4P — CID 89204430

IUPAC5-[methoxy(methyl)phosphoryl]oxy-3-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-indol-2-yl]-2H-indazole
SMILESCOP(C)(=O)Oc1ccc2n[nH]c(C3Cc4cc(OCCN5CCN(C)CC5)ccc4N3)c2c1
InChIInChI=1S/C24H32N5O4P/c1-28-8-10-29(11-9-28)12-13-32-18-4-6-21-17(14-18)15-23(25-21)24-20-16-19(33-34(3,30)31-2)5-7-22(20)26-27-24/h4-7,14,16,23,25H,8-13,15H2,1-3H3,(H,26,27)
InChIKeyDXJSSZHHQBQKLK-UHFFFAOYSA-N
MW485.53 g/mol
LogP3.75
Rot. Bonds8

About 5-[methoxy(methyl)phosphoryl]oxy-3-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-indol-2-yl]-2H-indazole

5-[methoxy(methyl)phosphoryl]oxy-3-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-indol-2-yl]-2H-indazole (PubChem CID 89204430) has the molecular formula C24H32N5O4P and a molecular weight of 485.53 g/mol. Its IUPAC name is 5-[methoxy(methyl)phosphoryl]oxy-3-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-indol-2-yl]-2H-indazole.

Molecular Properties

Compound Name5-[methoxy(methyl)phosphoryl]oxy-3-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-indol-2-yl]-2H-indazole
PubChem CID89204430
Molecular FormulaC24H32N5O4P
Molecular Weight485.53 g/mol
Exact Mass485.22
IUPAC Name5-[methoxy(methyl)phosphoryl]oxy-3-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-indol-2-yl]-2H-indazole
SMILESCOP(C)(=O)Oc1ccc2n[nH]c(C3Cc4cc(OCCN5CCN(C)CC5)ccc4N3)c2c1
InChIInChI=1S/C24H32N5O4P/c1-28-8-10-29(11-9-28)12-13-32-18-4-6-21-17(14-18)15-23(25-21)24-20-16-19(33-34(3,30)31-2)5-7-22(20)26-27-24/h4-7,14,16,23,25H,8-13,15H2,1-3H3,(H,26,27)
InChIKeyDXJSSZHHQBQKLK-UHFFFAOYSA-N
XLogP3.75
TPSA91.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.53
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[methoxy(methyl)phosphoryl]oxy-3-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-indol-2-yl]-2H-indazole?
The IUPAC name of 5-[methoxy(methyl)phosphoryl]oxy-3-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-indol-2-yl]-2H-indazole (CID 89204430) is 5-[methoxy(methyl)phosphoryl]oxy-3-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-indol-2-yl]-2H-indazole.
What is the SMILES notation for 5-[methoxy(methyl)phosphoryl]oxy-3-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-indol-2-yl]-2H-indazole?
The canonical SMILES for 5-[methoxy(methyl)phosphoryl]oxy-3-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-indol-2-yl]-2H-indazole is COP(C)(=O)Oc1ccc2n[nH]c(C3Cc4cc(OCCN5CCN(C)CC5)ccc4N3)c2c1.
What is the InChIKey of 5-[methoxy(methyl)phosphoryl]oxy-3-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-indol-2-yl]-2H-indazole?
The InChIKey is DXJSSZHHQBQKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N5O4P/c1-28-8-10-29(11-9-28)12-13-32-18-4-6-21-17(14-18)15-23(25-21)24-20-16-19(33-34(3,30)31-2)5-7-22(20)26-27-24/h4-7,14,16,23,25H,8-13,15H2,1-3H3,(H,26,27).
What are the key properties of 5-[methoxy(methyl)phosphoryl]oxy-3-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-indol-2-yl]-2H-indazole?
5-[methoxy(methyl)phosphoryl]oxy-3-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-indol-2-yl]-2H-indazole has a molecular weight of 485.53 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methoxy(methyl)phosphoryl]oxy-3-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-2,3-dihydro-1H-indol-2-yl]-2H-indazole is sourced from PubChem (CID 89204430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).