3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid

C23H29N5O5 — CID 155745662

IUPAC3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESCN(C(=O)OCc1c(-c2ccc(OCC34CC(C(=O)O)(C3)C4)cn2)nnn1C)C1CCCC1
InChIInChI=1S/C23H29N5O5/c1-27(15-5-3-4-6-15)21(31)32-10-18-19(25-26-28(18)2)17-8-7-16(9-24-17)33-14-22-11-23(12-22,13-22)20(29)30/h7-9,15H,3-6,10-14H2,1-2H3,(H,29,30)
InChIKeyAPAKNFFTTIYZHW-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.02
Rot. Bonds8

About 3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid

3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid (PubChem CID 155745662) has the molecular formula C23H29N5O5 and a molecular weight of 455.52 g/mol. Its IUPAC name is 3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid
PubChem CID155745662
Molecular FormulaC23H29N5O5
Molecular Weight455.52 g/mol
Exact Mass455.22
IUPAC Name3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESCN(C(=O)OCc1c(-c2ccc(OCC34CC(C(=O)O)(C3)C4)cn2)nnn1C)C1CCCC1
InChIInChI=1S/C23H29N5O5/c1-27(15-5-3-4-6-15)21(31)32-10-18-19(25-26-28(18)2)17-8-7-16(9-24-17)33-14-22-11-23(12-22,13-22)20(29)30/h7-9,15H,3-6,10-14H2,1-2H3,(H,29,30)
InChIKeyAPAKNFFTTIYZHW-UHFFFAOYSA-N
XLogP3.02
TPSA119.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid 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-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid?
The IUPAC name of 3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid (CID 155745662) is 3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid.
What is the SMILES notation for 3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid?
The canonical SMILES for 3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid is CN(C(=O)OCc1c(-c2ccc(OCC34CC(C(=O)O)(C3)C4)cn2)nnn1C)C1CCCC1.
What is the InChIKey of 3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid?
The InChIKey is APAKNFFTTIYZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5/c1-27(15-5-3-4-6-15)21(31)32-10-18-19(25-26-28(18)2)17-8-7-16(9-24-17)33-14-22-11-23(12-22,13-22)20(29)30/h7-9,15H,3-6,10-14H2,1-2H3,(H,29,30).
What are the key properties of 3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid?
3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid has a molecular weight of 455.52 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid is sourced from PubChem (CID 155745662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).