3-[[2-methyl-6-[1-methyl-5-[[(4-propan-2-ylpyrimidin-2-yl)amino]methyl]triazol-4-yl]-3-pyridinyl]oxymethyl]cyclopentane-1-carboxylic acid

C24H31N7O3 — CID 175873745

IUPAC3-[[2-methyl-6-[1-methyl-5-[[(4-propan-2-ylpyrimidin-2-yl)amino]methyl]triazol-4-yl]-3-pyridinyl]oxymethyl]cyclopentane-1-carboxylic acid
SMILESCc1nc(-c2nnn(C)c2CNc2nccc(C(C)C)n2)ccc1OCC1CCC(C(=O)O)C1
InChIInChI=1S/C24H31N7O3/c1-14(2)18-9-10-25-24(28-18)26-12-20-22(29-30-31(20)4)19-7-8-21(15(3)27-19)34-13-16-5-6-17(11-16)23(32)33/h7-10,14,16-17H,5-6,11-13H2,1-4H3,(H,32,33)(H,25,26,28)
InChIKeyURTXEZZCKXPTJJ-UHFFFAOYSA-N
MW465.56 g/mol
LogP3.59
Rot. Bonds9

About 3-[[2-methyl-6-[1-methyl-5-[[(4-propan-2-ylpyrimidin-2-yl)amino]methyl]triazol-4-yl]-3-pyridinyl]oxymethyl]cyclopentane-1-carboxylic acid

3-[[2-methyl-6-[1-methyl-5-[[(4-propan-2-ylpyrimidin-2-yl)amino]methyl]triazol-4-yl]-3-pyridinyl]oxymethyl]cyclopentane-1-carboxylic acid (PubChem CID 175873745) has the molecular formula C24H31N7O3 and a molecular weight of 465.56 g/mol. Its IUPAC name is 3-[[2-methyl-6-[1-methyl-5-[[(4-propan-2-ylpyrimidin-2-yl)amino]methyl]triazol-4-yl]-3-pyridinyl]oxymethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-methyl-6-[1-methyl-5-[[(4-propan-2-ylpyrimidin-2-yl)amino]methyl]triazol-4-yl]-3-pyridinyl]oxymethyl]cyclopentane-1-carboxylic acid
PubChem CID175873745
Molecular FormulaC24H31N7O3
Molecular Weight465.56 g/mol
Exact Mass465.25
IUPAC Name3-[[2-methyl-6-[1-methyl-5-[[(4-propan-2-ylpyrimidin-2-yl)amino]methyl]triazol-4-yl]-3-pyridinyl]oxymethyl]cyclopentane-1-carboxylic acid
SMILESCc1nc(-c2nnn(C)c2CNc2nccc(C(C)C)n2)ccc1OCC1CCC(C(=O)O)C1
InChIInChI=1S/C24H31N7O3/c1-14(2)18-9-10-25-24(28-18)26-12-20-22(29-30-31(20)4)19-7-8-21(15(3)27-19)34-13-16-5-6-17(11-16)23(32)33/h7-10,14,16-17H,5-6,11-13H2,1-4H3,(H,32,33)(H,25,26,28)
InChIKeyURTXEZZCKXPTJJ-UHFFFAOYSA-N
XLogP3.59
TPSA127.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[[2-methyl-6-[1-methyl-5-[[(4-propan-2-ylpyrimidin-2-yl)amino]methyl]triazol-4-yl]-3-pyridinyl]oxymethyl]cyclopentane-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-[[2-methyl-6-[1-methyl-5-[[(4-propan-2-ylpyrimidin-2-yl)amino]methyl]triazol-4-yl]-3-pyridinyl]oxymethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[2-methyl-6-[1-methyl-5-[[(4-propan-2-ylpyrimidin-2-yl)amino]methyl]triazol-4-yl]-3-pyridinyl]oxymethyl]cyclopentane-1-carboxylic acid (CID 175873745) is 3-[[2-methyl-6-[1-methyl-5-[[(4-propan-2-ylpyrimidin-2-yl)amino]methyl]triazol-4-yl]-3-pyridinyl]oxymethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-methyl-6-[1-methyl-5-[[(4-propan-2-ylpyrimidin-2-yl)amino]methyl]triazol-4-yl]-3-pyridinyl]oxymethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[2-methyl-6-[1-methyl-5-[[(4-propan-2-ylpyrimidin-2-yl)amino]methyl]triazol-4-yl]-3-pyridinyl]oxymethyl]cyclopentane-1-carboxylic acid is Cc1nc(-c2nnn(C)c2CNc2nccc(C(C)C)n2)ccc1OCC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-methyl-6-[1-methyl-5-[[(4-propan-2-ylpyrimidin-2-yl)amino]methyl]triazol-4-yl]-3-pyridinyl]oxymethyl]cyclopentane-1-carboxylic acid?
The InChIKey is URTXEZZCKXPTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O3/c1-14(2)18-9-10-25-24(28-18)26-12-20-22(29-30-31(20)4)19-7-8-21(15(3)27-19)34-13-16-5-6-17(11-16)23(32)33/h7-10,14,16-17H,5-6,11-13H2,1-4H3,(H,32,33)(H,25,26,28).
What are the key properties of 3-[[2-methyl-6-[1-methyl-5-[[(4-propan-2-ylpyrimidin-2-yl)amino]methyl]triazol-4-yl]-3-pyridinyl]oxymethyl]cyclopentane-1-carboxylic acid?
3-[[2-methyl-6-[1-methyl-5-[[(4-propan-2-ylpyrimidin-2-yl)amino]methyl]triazol-4-yl]-3-pyridinyl]oxymethyl]cyclopentane-1-carboxylic acid has a molecular weight of 465.56 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-6-[1-methyl-5-[[(4-propan-2-ylpyrimidin-2-yl)amino]methyl]triazol-4-yl]-3-pyridinyl]oxymethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 175873745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).