N-cyclopropyl-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

C25H33FN4O3 — CID 45176424

IUPACN-cyclopropyl-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCOc1cc(CC2(CCC(=O)N(Cc3c(C)nn(C)c3C)C3CC3)CCC(=O)N2)ccc1F
InChIInChI=1S/C25H33FN4O3/c1-16-20(17(2)29(3)28-16)15-30(19-6-7-19)24(32)10-12-25(11-9-23(31)27-25)14-18-5-8-21(26)22(13-18)33-4/h5,8,13,19H,6-7,9-12,14-15H2,1-4H3,(H,27,31)
InChIKeyYSSDZSHHNHXNFU-UHFFFAOYSA-N
MW456.56 g/mol
LogP3.35
Rot. Bonds9

About N-cyclopropyl-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

N-cyclopropyl-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (PubChem CID 45176424) has the molecular formula C25H33FN4O3 and a molecular weight of 456.56 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
PubChem CID45176424
Molecular FormulaC25H33FN4O3
Molecular Weight456.56 g/mol
Exact Mass456.25
IUPAC NameN-cyclopropyl-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCOc1cc(CC2(CCC(=O)N(Cc3c(C)nn(C)c3C)C3CC3)CCC(=O)N2)ccc1F
InChIInChI=1S/C25H33FN4O3/c1-16-20(17(2)29(3)28-16)15-30(19-6-7-19)24(32)10-12-25(11-9-23(31)27-25)14-18-5-8-21(26)22(13-18)33-4/h5,8,13,19H,6-7,9-12,14-15H2,1-4H3,(H,27,31)
InChIKeyYSSDZSHHNHXNFU-UHFFFAOYSA-N
XLogP3.35
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide 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-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(5-hydroxy-2-adamantyl)propanamide
CID 45169517
N-[(2,6-difluoro-3-methylphenyl)methyl]-3-[(2S)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42449551
(5R)-5-[(4-fluoro-3-methoxyphenyl)methyl]-5-[3-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42434770
(5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 42406236
(5S)-5-[(4-fluoro-3-methoxyphenyl)methyl]-5-[3-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42366712
(5R)-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 42168825
4-[3-[(2S)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 42236300
N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 26335072
5-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 45240558
3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-1-[(5S,7R)-3-hydroxy-1-adamantyl]ethyl]propanamide
CID 25290720
3-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 125161883
3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]propanamide
CID 42248412

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (CID 45176424) is N-cyclopropyl-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is COc1cc(CC2(CCC(=O)N(Cc3c(C)nn(C)c3C)C3CC3)CCC(=O)N2)ccc1F.
What is the InChIKey of N-cyclopropyl-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The InChIKey is YSSDZSHHNHXNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O3/c1-16-20(17(2)29(3)28-16)15-30(19-6-7-19)24(32)10-12-25(11-9-23(31)27-25)14-18-5-8-21(26)22(13-18)33-4/h5,8,13,19H,6-7,9-12,14-15H2,1-4H3,(H,27,31).
What are the key properties of N-cyclopropyl-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
N-cyclopropyl-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide has a molecular weight of 456.56 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 45176424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).