(1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone

C27H26N4O2 — CID 42377969

IUPAC(1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1[C@H]1CCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C27H26N4O2/c1-33-25-17-9-8-15-22(25)24-16-10-18-30(24)27(32)23-19-31(29-28-23)26(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-9,11-15,17,19,24,26H,10,16,18H2,1H3/t24-/m1/s1
InChIKeyOQPXMTZYGLZRLX-XMMPIXPASA-N
MW438.53 g/mol
LogP4.90
Rot. Bonds6

About (1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone

(1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 42377969) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is (1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID42377969
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name(1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1[C@H]1CCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C27H26N4O2/c1-33-25-17-9-8-15-22(25)24-16-10-18-30(24)27(32)23-19-31(29-28-23)26(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-9,11-15,17,19,24,26H,10,16,18H2,1H3/t24-/m1/s1
InChIKeyOQPXMTZYGLZRLX-XMMPIXPASA-N
XLogP4.90
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone 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

ethyl (2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidine-2-carboxylate
CID 42151531
[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 77087483
3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119951145
(2,6-dimethoxyphenyl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053428
N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 42114508
[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
CID 50983477
2-chloro-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997579
[4-(aminomethyl)phenyl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 119316524
3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120500295
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119771470
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625391
4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one
CID 120562159

Frequently Asked Questions

What is the IUPAC name of (1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 42377969) is (1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccccc1[C@H]1CCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1.
What is the InChIKey of (1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is OQPXMTZYGLZRLX-XMMPIXPASA-N. The full InChI is InChI=1S/C27H26N4O2/c1-33-25-17-9-8-15-22(25)24-16-10-18-30(24)27(32)23-19-31(29-28-23)26(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-9,11-15,17,19,24,26H,10,16,18H2,1H3/t24-/m1/s1.
What are the key properties of (1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
(1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 438.53 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 42377969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).