N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide

C22H18ClFN4O2S — CID 159018583

IUPACN-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN1CCN=C1c1ccc(C(=O)Cc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C22H18ClFN4O2S/c1-28-8-7-25-21(28)14-2-4-16(17(24)10-14)18(29)11-13-6-9-31-20(13)22(30)27-19-5-3-15(23)12-26-19/h2-6,9-10,12H,7-8,11H2,1H3,(H,26,27,30)
InChIKeyFLILJHPSHSITDK-UHFFFAOYSA-N
MW456.93 g/mol
LogP4.31
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide

N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 159018583) has the molecular formula C22H18ClFN4O2S and a molecular weight of 456.93 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID159018583
Molecular FormulaC22H18ClFN4O2S
Molecular Weight456.93 g/mol
Exact Mass456.08
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN1CCN=C1c1ccc(C(=O)Cc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C22H18ClFN4O2S/c1-28-8-7-25-21(28)14-2-4-16(17(24)10-14)18(29)11-13-6-9-31-20(13)22(30)27-19-5-3-15(23)12-26-19/h2-6,9-10,12H,7-8,11H2,1H3,(H,26,27,30)
InChIKeyFLILJHPSHSITDK-UHFFFAOYSA-N
XLogP4.31
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-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

N-(5-chloropyridin-2-yl)-2-[((4-((4-methylpiperazin-1-yl)methyl)chlorothiophen-2-yl)carbonyl)amino]-5-chlorobenzamide
CID 16731823
N-(5-chloropyridin-2-yl)-5-propylthiophene-3-carboxamide
CID 1246828
N-(4-chloro-2-(5-chloropyridin-2-ylcarbamoyl)phenyl)-4-(N,N-dimethylcarbamimidoyl)thiophene-2-carboxamide
CID 44565787
3-chloro-4-fluoro-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
CID 1244206
N-(5-chloropyridin-2-yl)-3-(4-(N,N-dimethylcarbamimidoyl)benzamido)thiophene-2-carboxamide
CID 18728144
N-[5-[(3-fluorobenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide
CID 1449379
3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 42625704
2-[6-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-N,N-dimethylbenzamide
CID 44446390
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(1S,2S,4R)-4-[2-(4-fluorophenyl)propan-2-ylamino]-2-thiophen-3-ylcyclohexyl]methanone
CID 57401832
4-(5-chlorothiophen-2-yl)-N-(5-methylpyridin-2-yl)-4-oxobutanamide
CID 25162447
US10617676, Example 464
CID 134493909
N-[6-[(2-fluorobenzoyl)amino]-4-methyl-3-pyridinyl]thiophene-2-carboxamide
CID 1449349

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide (CID 159018583) is N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide is CN1CCN=C1c1ccc(C(=O)Cc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is FLILJHPSHSITDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O2S/c1-28-8-7-25-21(28)14-2-4-16(17(24)10-14)18(29)11-13-6-9-31-20(13)22(30)27-19-5-3-15(23)12-26-19/h2-6,9-10,12H,7-8,11H2,1H3,(H,26,27,30).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide?
N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 456.93 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 159018583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).