1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2-fluoro-2-(2-methoxy-4-pyridinyl)propan-1-one

C24H27F3N6O2 — CID 176883015

IUPAC1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2-fluoro-2-(2-methoxy-4-pyridinyl)propan-1-one
SMILESCOc1cc(C(C)(F)C(=O)N2CC[C@H](Nc3ccc(-c4cn(C)c(C(F)F)n4)c(C)n3)C2)ccn1
InChIInChI=1S/C24H27F3N6O2/c1-14-17(18-13-32(3)22(31-18)21(25)26)5-6-19(29-14)30-16-8-10-33(12-16)23(34)24(2,27)15-7-9-28-20(11-15)35-4/h5-7,9,11,13,16,21H,8,10,12H2,1-4H3,(H,29,30)/t16-,24?/m0/s1
InChIKeyBCLQXKRKXXKWPP-FXIRQEPWSA-N
MW488.51 g/mol
LogP4.03
Rot. Bonds7

About 1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2-fluoro-2-(2-methoxy-4-pyridinyl)propan-1-one

1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2-fluoro-2-(2-methoxy-4-pyridinyl)propan-1-one (PubChem CID 176883015) has the molecular formula C24H27F3N6O2 and a molecular weight of 488.51 g/mol. Its IUPAC name is 1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2-fluoro-2-(2-methoxy-4-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2-fluoro-2-(2-methoxy-4-pyridinyl)propan-1-one
PubChem CID176883015
Molecular FormulaC24H27F3N6O2
Molecular Weight488.51 g/mol
Exact Mass488.21
IUPAC Name1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2-fluoro-2-(2-methoxy-4-pyridinyl)propan-1-one
SMILESCOc1cc(C(C)(F)C(=O)N2CC[C@H](Nc3ccc(-c4cn(C)c(C(F)F)n4)c(C)n3)C2)ccn1
InChIInChI=1S/C24H27F3N6O2/c1-14-17(18-13-32(3)22(31-18)21(25)26)5-6-19(29-14)30-16-8-10-33(12-16)23(34)24(2,27)15-7-9-28-20(11-15)35-4/h5-7,9,11,13,16,21H,8,10,12H2,1-4H3,(H,29,30)/t16-,24?/m0/s1
InChIKeyBCLQXKRKXXKWPP-FXIRQEPWSA-N
XLogP4.03
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2-fluoro-2-(2-methoxy-4-pyridinyl)propan-1-one 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

2-(3,4-dichlorophenyl)-1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2,2-difluoroethanone
CID 176509549
(2S)-2-[2-(difluoromethoxy)-6-methoxy-4-pyridinyl]-1-[(3S)-3-[(6-methyl-5-pyrimidin-2-yl-2-pyridinyl)amino]pyrrolidin-1-yl]propan-1-one
CID 176509545
(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(3S)-3-[[6-methyl-5-[1-(trideuteriomethyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one
CID 176509557
methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate
CID 133420318
2-fluoro-2-(2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
CID 166884218
1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 175818017
tert-butyl 3-[[6-bromo-4-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 170694011
methyl 3-[(6-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71996052
N-[1-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171996361
6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171993855
methyl 4-[(1-methylpiperidin-3-yl)amino]pyrimidine-2-carboxylate
CID 66284636
ethyl (3S,4S)-4-(2-methoxy-4-pyridinyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate
CID 118282145

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2-fluoro-2-(2-methoxy-4-pyridinyl)propan-1-one?
The IUPAC name of 1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2-fluoro-2-(2-methoxy-4-pyridinyl)propan-1-one (CID 176883015) is 1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2-fluoro-2-(2-methoxy-4-pyridinyl)propan-1-one.
What is the SMILES notation for 1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2-fluoro-2-(2-methoxy-4-pyridinyl)propan-1-one?
The canonical SMILES for 1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2-fluoro-2-(2-methoxy-4-pyridinyl)propan-1-one is COc1cc(C(C)(F)C(=O)N2CC[C@H](Nc3ccc(-c4cn(C)c(C(F)F)n4)c(C)n3)C2)ccn1.
What is the InChIKey of 1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2-fluoro-2-(2-methoxy-4-pyridinyl)propan-1-one?
The InChIKey is BCLQXKRKXXKWPP-FXIRQEPWSA-N. The full InChI is InChI=1S/C24H27F3N6O2/c1-14-17(18-13-32(3)22(31-18)21(25)26)5-6-19(29-14)30-16-8-10-33(12-16)23(34)24(2,27)15-7-9-28-20(11-15)35-4/h5-7,9,11,13,16,21H,8,10,12H2,1-4H3,(H,29,30)/t16-,24?/m0/s1.
What are the key properties of 1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2-fluoro-2-(2-methoxy-4-pyridinyl)propan-1-one?
1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2-fluoro-2-(2-methoxy-4-pyridinyl)propan-1-one has a molecular weight of 488.51 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[5-[2-(difluoromethyl)-1-methylimidazol-4-yl]-6-methyl-2-pyridinyl]amino]pyrrolidin-1-yl]-2-fluoro-2-(2-methoxy-4-pyridinyl)propan-1-one is sourced from PubChem (CID 176883015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).