4-[(3S,4R)-4-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one

C23H24FN3O2 — CID 136760282

IUPAC4-[(3S,4R)-4-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCOc1cccc(CN2C[C@@H](c3cc(=O)[nH]c(C)n3)[C@H](c3ccccc3F)C2)c1
InChIInChI=1S/C23H24FN3O2/c1-15-25-22(11-23(28)26-15)20-14-27(12-16-6-5-7-17(10-16)29-2)13-19(20)18-8-3-4-9-21(18)24/h3-11,19-20H,12-14H2,1-2H3,(H,25,26,28)/t19-,20+/m0/s1
InChIKeyGPILUASWEBKLRA-VQTJNVASSA-N
MW393.46 g/mol
LogP3.61
Rot. Bonds5

About 4-[(3S,4R)-4-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one

4-[(3S,4R)-4-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136760282) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 4-[(3S,4R)-4-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3S,4R)-4-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136760282
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name4-[(3S,4R)-4-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCOc1cccc(CN2C[C@@H](c3cc(=O)[nH]c(C)n3)[C@H](c3ccccc3F)C2)c1
InChIInChI=1S/C23H24FN3O2/c1-15-25-22(11-23(28)26-15)20-14-27(12-16-6-5-7-17(10-16)29-2)13-19(20)18-8-3-4-9-21(18)24/h3-11,19-20H,12-14H2,1-2H3,(H,25,26,28)/t19-,20+/m0/s1
InChIKeyGPILUASWEBKLRA-VQTJNVASSA-N
XLogP3.61
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3S,4R)-4-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one 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 4-[(3S,4R)-4-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3S,4R)-4-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one (CID 136760282) is 4-[(3S,4R)-4-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3S,4R)-4-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3S,4R)-4-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one is COc1cccc(CN2C[C@@H](c3cc(=O)[nH]c(C)n3)[C@H](c3ccccc3F)C2)c1.
What is the InChIKey of 4-[(3S,4R)-4-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is GPILUASWEBKLRA-VQTJNVASSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-15-25-22(11-23(28)26-15)20-14-27(12-16-6-5-7-17(10-16)29-2)13-19(20)18-8-3-4-9-21(18)24/h3-11,19-20H,12-14H2,1-2H3,(H,25,26,28)/t19-,20+/m0/s1.
What are the key properties of 4-[(3S,4R)-4-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(3S,4R)-4-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 393.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4R)-4-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136760282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).