1-[4-[4-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

C24H26N4O4 — CID 71461121

IUPAC1-[4-[4-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCc1nnn(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C24H26N4O4/c1-15-20(25-22(31)32-23(2,3)4)28(27-26-15)19-11-7-17(8-12-19)16-5-9-18(10-6-16)24(13-14-24)21(29)30/h5-12H,13-14H2,1-4H3,(H,25,31)(H,29,30)
InChIKeyLZBUAKZQKXKILJ-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.71
Rot. Bonds5

About 1-[4-[4-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

1-[4-[4-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 71461121) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-[4-[4-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID71461121
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name1-[4-[4-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCc1nnn(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C24H26N4O4/c1-15-20(25-22(31)32-23(2,3)4)28(27-26-15)19-11-7-17(8-12-19)16-5-9-18(10-6-16)24(13-14-24)21(29)30/h5-12H,13-14H2,1-4H3,(H,25,31)(H,29,30)
InChIKeyLZBUAKZQKXKILJ-UHFFFAOYSA-N
XLogP4.71
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-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

Related Compounds

LPA1 receptor antagonist 1
CID 71265339
1-{4'-[5-((R)-1-phenyl-ethoxycarbonylamino)-[1,2,3]triazol-1-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid
CID 71267051
1-{4'-[5-((R)-sec-butoxycarbonylamino)-4-methyl-[1,2,3]triazol-1-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid
CID 71450321
{3-[4'-(1-methanesulfonylaminocarbonyl-cyclopropyl)-biphenyl-4-yl]-5-methyl-3H-[1,2,3]triazol-4-yl}-carbamic acid (R)-1-phenyl-ethyl ester
CID 71450322
1-[4-[4-[4-methyl-5-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71453959
1-[4-[4-[4-methyl-5-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71455702
1-{4'-[5-(1-Cyclobutyl-ethoxycarbonylamino)-4-methyl-[1,2,3]triazol-1-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid
CID 71457478
1-{4'-[5-((R)-1,2-dimethyl-propoxycarbonylamino)-1-methyl-1H-[1,2,3]triazol-4-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid
CID 71457479
1-{4'-[4-ethyl-5-((R)-1-phenyl-ethoxycarbonylamino)-[1,2,3]triazol-1-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid
CID 71459353
1-(4'-{5-[(R)-1-(2-fluoro-phenyl)ethoxycarbonylamino]-4-methyl-[1,2,3]triazol-1-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid
CID 71461120
1-{4'-[5-((R)-1,2-dimethyl-propoxycarbonylamino)-4-methyl-[1,2,3]triazol-1-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid
CID 71462861
2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]acetic acid
CID 71462860

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[4-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 71461121) is 1-[4-[4-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[4-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[4-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is Cc1nnn(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1NC(=O)OC(C)(C)C.
What is the InChIKey of 1-[4-[4-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is LZBUAKZQKXKILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-15-20(25-22(31)32-23(2,3)4)28(27-26-15)19-11-7-17(8-12-19)16-5-9-18(10-6-16)24(13-14-24)21(29)30/h5-12H,13-14H2,1-4H3,(H,25,31)(H,29,30).
What are the key properties of 1-[4-[4-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[4-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 434.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 71461121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).