(2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone

C23H27FN4O2 — CID 124980202

IUPAC(2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
SMILESCc1ccnc([C@@H]2CCN(C(=O)C3(C)CCN(C(=O)c4ccccc4F)CC3)C2)n1
InChIInChI=1S/C23H27FN4O2/c1-16-7-11-25-20(26-16)17-8-12-28(15-17)22(30)23(2)9-13-27(14-10-23)21(29)18-5-3-4-6-19(18)24/h3-7,11,17H,8-10,12-15H2,1-2H3/t17-/m1/s1
InChIKeyMGZLYRNFPXFJFA-QGZVFWFLSA-N
MW410.49 g/mol
LogP3.18
Rot. Bonds3

About (2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone

(2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 124980202) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID124980202
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name(2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
SMILESCc1ccnc([C@@H]2CCN(C(=O)C3(C)CCN(C(=O)c4ccccc4F)CC3)C2)n1
InChIInChI=1S/C23H27FN4O2/c1-16-7-11-25-20(26-16)17-8-12-28(15-17)22(30)23(2)9-13-27(14-10-23)21(29)18-5-3-4-6-19(18)24/h3-7,11,17H,8-10,12-15H2,1-2H3/t17-/m1/s1
InChIKeyMGZLYRNFPXFJFA-QGZVFWFLSA-N
XLogP3.18
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-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

3-(2-fluorophenoxy)-1-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 124957103
(5-methylpyrazin-2-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 175652427
(2-ethoxy-3-pyridinyl)-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124949318
1-[4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110148907
[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46068543
2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 124953007
3-cyclohexyl-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 127246565
1-(2-fluorobenzoyl)-N,4-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]piperidine-4-carboxamide
CID 125004277
2-(2-methylbenzimidazol-1-yl)-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 175652470
N-[4-[3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 127246605
N-[4-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 125021033
3-(benzotriazol-1-yl)-1-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 125025012

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone (CID 124980202) is (2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone is Cc1ccnc([C@@H]2CCN(C(=O)C3(C)CCN(C(=O)c4ccccc4F)CC3)C2)n1.
What is the InChIKey of (2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is MGZLYRNFPXFJFA-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-16-7-11-25-20(26-16)17-8-12-28(15-17)22(30)23(2)9-13-27(14-10-23)21(29)18-5-3-4-6-19(18)24/h3-7,11,17H,8-10,12-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 410.49 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-methyl-4-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 124980202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).