cis-(1S,3R)-3-[(4,5-diphenylpyrimidin-2-yl)oxymethyl]cyclopentane-1-carboxylic acid

C23H22N2O3 — CID 68581486

IUPACcis-(1S,3R)-3-[(4,5-diphenylpyrimidin-2-yl)oxymethyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](COc2ncc(-c3ccccc3)c(-c3ccccc3)n2)C1
InChIInChI=1S/C23H22N2O3/c26-22(27)19-12-11-16(13-19)15-28-23-24-14-20(17-7-3-1-4-8-17)21(25-23)18-9-5-2-6-10-18/h1-10,14,16,19H,11-13,15H2,(H,26,27)/t16-,19+/m1/s1
InChIKeyCDQHPKFIXUCEIA-APWZRJJASA-N
MW374.44 g/mol
LogP4.69
Rot. Bonds6

About cis-(1S,3R)-3-[(4,5-diphenylpyrimidin-2-yl)oxymethyl]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(4,5-diphenylpyrimidin-2-yl)oxymethyl]cyclopentane-1-carboxylic acid (PubChem CID 68581486) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(4,5-diphenylpyrimidin-2-yl)oxymethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(4,5-diphenylpyrimidin-2-yl)oxymethyl]cyclopentane-1-carboxylic acid
PubChem CID68581486
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Namecis-(1S,3R)-3-[(4,5-diphenylpyrimidin-2-yl)oxymethyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](COc2ncc(-c3ccccc3)c(-c3ccccc3)n2)C1
InChIInChI=1S/C23H22N2O3/c26-22(27)19-12-11-16(13-19)15-28-23-24-14-20(17-7-3-1-4-8-17)21(25-23)18-9-5-2-6-10-18/h1-10,14,16,19H,11-13,15H2,(H,26,27)/t16-,19+/m1/s1
InChIKeyCDQHPKFIXUCEIA-APWZRJJASA-N
XLogP4.69
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-[(4,5-diphenylpyrimidin-2-yl)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

Related Compounds

carbonic acid;2-cyclohexyloxy-4,5-diphenylpyrimidine
CID 89483150
ethyl 4-[(4,5-diphenylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate
CID 68580771
cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid
CID 24722332
5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid
CID 117407354
3-(anilinomethyl)cyclopentane-1-carboxylic acid
CID 105474187
2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid
CID 23020305
2-(cyclopropylmethoxy)-6-phenylbenzoic acid
CID 66629657
3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 53436282
1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid
CID 143206525
trans-(1R,2R)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclopropane-1-carboxylic acid
CID 167980560
cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120679122
cis-(1R,3S)-3-[(5-cyano-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid;N-ethylethanamine
CID 146305588

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(4,5-diphenylpyrimidin-2-yl)oxymethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(4,5-diphenylpyrimidin-2-yl)oxymethyl]cyclopentane-1-carboxylic acid (CID 68581486) is cis-(1S,3R)-3-[(4,5-diphenylpyrimidin-2-yl)oxymethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(4,5-diphenylpyrimidin-2-yl)oxymethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(4,5-diphenylpyrimidin-2-yl)oxymethyl]cyclopentane-1-carboxylic acid is O=C(O)[C@H]1CC[C@@H](COc2ncc(-c3ccccc3)c(-c3ccccc3)n2)C1.
What is the InChIKey of cis-(1S,3R)-3-[(4,5-diphenylpyrimidin-2-yl)oxymethyl]cyclopentane-1-carboxylic acid?
The InChIKey is CDQHPKFIXUCEIA-APWZRJJASA-N. The full InChI is InChI=1S/C23H22N2O3/c26-22(27)19-12-11-16(13-19)15-28-23-24-14-20(17-7-3-1-4-8-17)21(25-23)18-9-5-2-6-10-18/h1-10,14,16,19H,11-13,15H2,(H,26,27)/t16-,19+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[(4,5-diphenylpyrimidin-2-yl)oxymethyl]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(4,5-diphenylpyrimidin-2-yl)oxymethyl]cyclopentane-1-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(4,5-diphenylpyrimidin-2-yl)oxymethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 68581486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).