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

C23H25N5 — CID 70194697

IUPAC3-[(2R)-2-methyl-1-(2-phenylethyl)pyrrolidin-2-yl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESC[C@]1(c2c[nH]c3ccc(-n4cnnc4)cc23)CCCN1CCc1ccccc1
InChIInChI=1S/C23H25N5/c1-23(11-5-12-28(23)13-10-18-6-3-2-4-7-18)21-15-24-22-9-8-19(14-20(21)22)27-16-25-26-17-27/h2-4,6-9,14-17,24H,5,10-13H2,1H3/t23-/m1/s1
InChIKeyNMNPZGLDNCTHBW-HSZRJFAPSA-N
MW371.49 g/mol
LogP4.30
Rot. Bonds5

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

3-[(2R)-2-methyl-1-(2-phenylethyl)pyrrolidin-2-yl]-5-(1,2,4-triazol-4-yl)-1H-indole (PubChem CID 70194697) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 3-[(2R)-2-methyl-1-(2-phenylethyl)pyrrolidin-2-yl]-5-(1,2,4-triazol-4-yl)-1H-indole.

Molecular Properties

Compound Name3-[(2R)-2-methyl-1-(2-phenylethyl)pyrrolidin-2-yl]-5-(1,2,4-triazol-4-yl)-1H-indole
PubChem CID70194697
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name3-[(2R)-2-methyl-1-(2-phenylethyl)pyrrolidin-2-yl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESC[C@]1(c2c[nH]c3ccc(-n4cnnc4)cc23)CCCN1CCc1ccccc1
InChIInChI=1S/C23H25N5/c1-23(11-5-12-28(23)13-10-18-6-3-2-4-7-18)21-15-24-22-9-8-19(14-20(21)22)27-16-25-26-17-27/h2-4,6-9,14-17,24H,5,10-13H2,1H3/t23-/m1/s1
InChIKeyNMNPZGLDNCTHBW-HSZRJFAPSA-N
XLogP4.30
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-methyl-1-(2-phenylethyl)pyrrolidin-2-yl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The IUPAC name of 3-[(2R)-2-methyl-1-(2-phenylethyl)pyrrolidin-2-yl]-5-(1,2,4-triazol-4-yl)-1H-indole (CID 70194697) is 3-[(2R)-2-methyl-1-(2-phenylethyl)pyrrolidin-2-yl]-5-(1,2,4-triazol-4-yl)-1H-indole.
What is the SMILES notation for 3-[(2R)-2-methyl-1-(2-phenylethyl)pyrrolidin-2-yl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The canonical SMILES for 3-[(2R)-2-methyl-1-(2-phenylethyl)pyrrolidin-2-yl]-5-(1,2,4-triazol-4-yl)-1H-indole is C[C@]1(c2c[nH]c3ccc(-n4cnnc4)cc23)CCCN1CCc1ccccc1.
What is the InChIKey of 3-[(2R)-2-methyl-1-(2-phenylethyl)pyrrolidin-2-yl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The InChIKey is NMNPZGLDNCTHBW-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25N5/c1-23(11-5-12-28(23)13-10-18-6-3-2-4-7-18)21-15-24-22-9-8-19(14-20(21)22)27-16-25-26-17-27/h2-4,6-9,14-17,24H,5,10-13H2,1H3/t23-/m1/s1.
What are the key properties of 3-[(2R)-2-methyl-1-(2-phenylethyl)pyrrolidin-2-yl]-5-(1,2,4-triazol-4-yl)-1H-indole?
3-[(2R)-2-methyl-1-(2-phenylethyl)pyrrolidin-2-yl]-5-(1,2,4-triazol-4-yl)-1H-indole has a molecular weight of 371.49 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methyl-1-(2-phenylethyl)pyrrolidin-2-yl]-5-(1,2,4-triazol-4-yl)-1H-indole is sourced from PubChem (CID 70194697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).