3-[2-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole

C24H27N5O — CID 10739818

IUPAC3-[2-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESc1ccc(COC[C@@H]2CCN(CCc3c[nH]c4ccc(-n5cnnc5)cc34)C2)cc1
InChIInChI=1S/C24H27N5O/c1-2-4-19(5-3-1)15-30-16-20-8-10-28(14-20)11-9-21-13-25-24-7-6-22(12-23(21)24)29-17-26-27-18-29/h1-7,12-13,17-18,20,25H,8-11,14-16H2/t20-/m1/s1
InChIKeyHQTKJKBMUWZMCC-HXUWFJFHSA-N
MW401.51 g/mol
LogP3.83
Rot. Bonds8

About 3-[2-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole

3-[2-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole (PubChem CID 10739818) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-[2-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole.

Molecular Properties

Compound Name3-[2-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole
PubChem CID10739818
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name3-[2-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESc1ccc(COC[C@@H]2CCN(CCc3c[nH]c4ccc(-n5cnnc5)cc34)C2)cc1
InChIInChI=1S/C24H27N5O/c1-2-4-19(5-3-1)15-30-16-20-8-10-28(14-20)11-9-21-13-25-24-7-6-22(12-23(21)24)29-17-26-27-18-29/h1-7,12-13,17-18,20,25H,8-11,14-16H2/t20-/m1/s1
InChIKeyHQTKJKBMUWZMCC-HXUWFJFHSA-N
XLogP3.83
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The IUPAC name of 3-[2-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole (CID 10739818) is 3-[2-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole.
What is the SMILES notation for 3-[2-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The canonical SMILES for 3-[2-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole is c1ccc(COC[C@@H]2CCN(CCc3c[nH]c4ccc(-n5cnnc5)cc34)C2)cc1.
What is the InChIKey of 3-[2-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The InChIKey is HQTKJKBMUWZMCC-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N5O/c1-2-4-19(5-3-1)15-30-16-20-8-10-28(14-20)11-9-21-13-25-24-7-6-22(12-23(21)24)29-17-26-27-18-29/h1-7,12-13,17-18,20,25H,8-11,14-16H2/t20-/m1/s1.
What are the key properties of 3-[2-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
3-[2-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole has a molecular weight of 401.51 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole is sourced from PubChem (CID 10739818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).