2-[[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]imidazole-1-carboxamide

C28H28FN5O4S — CID 175845509

IUPAC2-[[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]imidazole-1-carboxamide
SMILESCS(=O)(=O)c1ccc(COc2ccc(-c3cn(C(N)=O)c(CC4CCN(c5ccc(F)cn5)C4)n3)cc2)cc1
InChIInChI=1S/C28H28FN5O4S/c1-39(36,37)24-9-2-19(3-10-24)18-38-23-7-4-21(5-8-23)25-17-34(28(30)35)27(32-25)14-20-12-13-33(16-20)26-11-6-22(29)15-31-26/h2-11,15,17,20H,12-14,16,18H2,1H3,(H2,30,35)
InChIKeyBZJKDVNASIRODY-UHFFFAOYSA-N
MW549.63 g/mol
LogP4.06
Rot. Bonds8

About 2-[[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]imidazole-1-carboxamide

2-[[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]imidazole-1-carboxamide (PubChem CID 175845509) has the molecular formula C28H28FN5O4S and a molecular weight of 549.63 g/mol. Its IUPAC name is 2-[[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound Name2-[[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]imidazole-1-carboxamide
PubChem CID175845509
Molecular FormulaC28H28FN5O4S
Molecular Weight549.63 g/mol
Exact Mass549.18
IUPAC Name2-[[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]imidazole-1-carboxamide
SMILESCS(=O)(=O)c1ccc(COc2ccc(-c3cn(C(N)=O)c(CC4CCN(c5ccc(F)cn5)C4)n3)cc2)cc1
InChIInChI=1S/C28H28FN5O4S/c1-39(36,37)24-9-2-19(3-10-24)18-38-23-7-4-21(5-8-23)25-17-34(28(30)35)27(32-25)14-20-12-13-33(16-20)26-11-6-22(29)15-31-26/h2-11,15,17,20H,12-14,16,18H2,1H3,(H2,30,35)
InChIKeyBZJKDVNASIRODY-UHFFFAOYSA-N
XLogP4.06
TPSA120.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.63
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]imidazole-1-carboxamide 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

4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]imidazole-1-carboxamide
CID 167474040
6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide
CID 125020264
3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine
CID 133341779
4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]-N-[(4-methylsulfonylphenyl)methyl]imidazole-1-carboxamide
CID 167474264
2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole
CID 51327833
2-[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 59177746
6-[[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-N,2-dimethylpyrimidine-4-carboxamide
CID 125018988
N'-hydroxy-4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboximidamide
CID 87100228
(2-amino-2-oxoethyl) 3-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]propanoate
CID 58032759
N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide
CID 166603265
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine
CID 133341841
4-[[4-[2-[6-[4-(4-methylsulfonylphenoxy)piperidin-1-yl]-3-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile
CID 147998367

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]imidazole-1-carboxamide?
The IUPAC name of 2-[[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]imidazole-1-carboxamide (CID 175845509) is 2-[[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]imidazole-1-carboxamide.
What is the SMILES notation for 2-[[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]imidazole-1-carboxamide?
The canonical SMILES for 2-[[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]imidazole-1-carboxamide is CS(=O)(=O)c1ccc(COc2ccc(-c3cn(C(N)=O)c(CC4CCN(c5ccc(F)cn5)C4)n3)cc2)cc1.
What is the InChIKey of 2-[[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]imidazole-1-carboxamide?
The InChIKey is BZJKDVNASIRODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O4S/c1-39(36,37)24-9-2-19(3-10-24)18-38-23-7-4-21(5-8-23)25-17-34(28(30)35)27(32-25)14-20-12-13-33(16-20)26-11-6-22(29)15-31-26/h2-11,15,17,20H,12-14,16,18H2,1H3,(H2,30,35).
What are the key properties of 2-[[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]imidazole-1-carboxamide?
2-[[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]imidazole-1-carboxamide has a molecular weight of 549.63 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 175845509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).