5-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-trimethylsilylethoxymethyl)-1,3-dihydroindazole-3-carboxylic acid

C22H35N3O4Si — CID 68612698

IUPAC5-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-trimethylsilylethoxymethyl)-1,3-dihydroindazole-3-carboxylic acid
SMILESC[Si](C)(C)CCOCN1Nc2ccc(N3CCC(OCC4CC4)C3)cc2C1C(=O)O
InChIInChI=1S/C22H35N3O4Si/c1-30(2,3)11-10-28-15-25-21(22(26)27)19-12-17(6-7-20(19)23-25)24-9-8-18(13-24)29-14-16-4-5-16/h6-7,12,16,18,21,23H,4-5,8-11,13-15H2,1-3H3,(H,26,27)
InChIKeyQBWFQPYEZHKYMN-UHFFFAOYSA-N
MW433.63 g/mol
LogP3.77
Rot. Bonds10

About 5-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-trimethylsilylethoxymethyl)-1,3-dihydroindazole-3-carboxylic acid

5-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-trimethylsilylethoxymethyl)-1,3-dihydroindazole-3-carboxylic acid (PubChem CID 68612698) has the molecular formula C22H35N3O4Si and a molecular weight of 433.63 g/mol. Its IUPAC name is 5-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-trimethylsilylethoxymethyl)-1,3-dihydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-trimethylsilylethoxymethyl)-1,3-dihydroindazole-3-carboxylic acid
PubChem CID68612698
Molecular FormulaC22H35N3O4Si
Molecular Weight433.63 g/mol
Exact Mass433.24
IUPAC Name5-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-trimethylsilylethoxymethyl)-1,3-dihydroindazole-3-carboxylic acid
SMILESC[Si](C)(C)CCOCN1Nc2ccc(N3CCC(OCC4CC4)C3)cc2C1C(=O)O
InChIInChI=1S/C22H35N3O4Si/c1-30(2,3)11-10-28-15-25-21(22(26)27)19-12-17(6-7-20(19)23-25)24-9-8-18(13-24)29-14-16-4-5-16/h6-7,12,16,18,21,23H,4-5,8-11,13-15H2,1-3H3,(H,26,27)
InChIKeyQBWFQPYEZHKYMN-UHFFFAOYSA-N
XLogP3.77
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.63
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-trimethylsilylethoxymethyl)-1,3-dihydroindazole-3-carboxylic acid?
The IUPAC name of 5-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-trimethylsilylethoxymethyl)-1,3-dihydroindazole-3-carboxylic acid (CID 68612698) is 5-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-trimethylsilylethoxymethyl)-1,3-dihydroindazole-3-carboxylic acid.
What is the SMILES notation for 5-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-trimethylsilylethoxymethyl)-1,3-dihydroindazole-3-carboxylic acid?
The canonical SMILES for 5-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-trimethylsilylethoxymethyl)-1,3-dihydroindazole-3-carboxylic acid is C[Si](C)(C)CCOCN1Nc2ccc(N3CCC(OCC4CC4)C3)cc2C1C(=O)O.
What is the InChIKey of 5-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-trimethylsilylethoxymethyl)-1,3-dihydroindazole-3-carboxylic acid?
The InChIKey is QBWFQPYEZHKYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O4Si/c1-30(2,3)11-10-28-15-25-21(22(26)27)19-12-17(6-7-20(19)23-25)24-9-8-18(13-24)29-14-16-4-5-16/h6-7,12,16,18,21,23H,4-5,8-11,13-15H2,1-3H3,(H,26,27).
What are the key properties of 5-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-trimethylsilylethoxymethyl)-1,3-dihydroindazole-3-carboxylic acid?
5-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-trimethylsilylethoxymethyl)-1,3-dihydroindazole-3-carboxylic acid has a molecular weight of 433.63 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-trimethylsilylethoxymethyl)-1,3-dihydroindazole-3-carboxylic acid is sourced from PubChem (CID 68612698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).