(2-phenylmethoxyphenyl)-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]methanone

C27H27N3O3 — CID 155546316

IUPAC(2-phenylmethoxyphenyl)-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]methanone
SMILESO=C(c1ccccc1OCc1ccccc1)n1nc(OCCN2CCCC2)c2ccccc21
InChIInChI=1S/C27H27N3O3/c31-27(23-13-5-7-15-25(23)33-20-21-10-2-1-3-11-21)30-24-14-6-4-12-22(24)26(28-30)32-19-18-29-16-8-9-17-29/h1-7,10-15H,8-9,16-20H2
InChIKeyGTCHDYHVJONDDU-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.78
Rot. Bonds8

About (2-phenylmethoxyphenyl)-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]methanone

(2-phenylmethoxyphenyl)-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]methanone (PubChem CID 155546316) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is (2-phenylmethoxyphenyl)-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]methanone.

Molecular Properties

Compound Name(2-phenylmethoxyphenyl)-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]methanone
PubChem CID155546316
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name(2-phenylmethoxyphenyl)-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]methanone
SMILESO=C(c1ccccc1OCc1ccccc1)n1nc(OCCN2CCCC2)c2ccccc21
InChIInChI=1S/C27H27N3O3/c31-27(23-13-5-7-15-25(23)33-20-21-10-2-1-3-11-21)30-24-14-6-4-12-22(24)26(28-30)32-19-18-29-16-8-9-17-29/h1-7,10-15H,8-9,16-20H2
InChIKeyGTCHDYHVJONDDU-UHFFFAOYSA-N
XLogP4.78
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-phenylmethoxyphenyl)-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]methanone?
The IUPAC name of (2-phenylmethoxyphenyl)-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]methanone (CID 155546316) is (2-phenylmethoxyphenyl)-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]methanone.
What is the SMILES notation for (2-phenylmethoxyphenyl)-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]methanone?
The canonical SMILES for (2-phenylmethoxyphenyl)-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]methanone is O=C(c1ccccc1OCc1ccccc1)n1nc(OCCN2CCCC2)c2ccccc21.
What is the InChIKey of (2-phenylmethoxyphenyl)-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]methanone?
The InChIKey is GTCHDYHVJONDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c31-27(23-13-5-7-15-25(23)33-20-21-10-2-1-3-11-21)30-24-14-6-4-12-22(24)26(28-30)32-19-18-29-16-8-9-17-29/h1-7,10-15H,8-9,16-20H2.
What are the key properties of (2-phenylmethoxyphenyl)-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]methanone?
(2-phenylmethoxyphenyl)-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]methanone has a molecular weight of 441.53 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylmethoxyphenyl)-[3-(2-pyrrolidin-1-ylethoxy)indazol-1-yl]methanone is sourced from PubChem (CID 155546316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).