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

C26H24ClFN4O3 — CID 59585473

IUPACN-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-3-methoxy-5-methylbenzamide
SMILESCOc1cc(C)cc(C(=O)Nc2ccc(Cl)cn2)c1CC(=O)c1ccc(C2=NCCN2C)cc1F
InChIInChI=1S/C26H24ClFN4O3/c1-15-10-20(26(34)31-24-7-5-17(27)14-30-24)19(23(11-15)35-3)13-22(33)18-6-4-16(12-21(18)28)25-29-8-9-32(25)2/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,30,31,34)
InChIKeyATFJBQDVTXKNOE-UHFFFAOYSA-N
MW494.95 g/mol
LogP4.56
Rot. Bonds7

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

N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-3-methoxy-5-methylbenzamide (PubChem CID 59585473) has the molecular formula C26H24ClFN4O3 and a molecular weight of 494.95 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-3-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-3-methoxy-5-methylbenzamide
PubChem CID59585473
Molecular FormulaC26H24ClFN4O3
Molecular Weight494.95 g/mol
Exact Mass494.15
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-3-methoxy-5-methylbenzamide
SMILESCOc1cc(C)cc(C(=O)Nc2ccc(Cl)cn2)c1CC(=O)c1ccc(C2=NCCN2C)cc1F
InChIInChI=1S/C26H24ClFN4O3/c1-15-10-20(26(34)31-24-7-5-17(27)14-30-24)19(23(11-15)35-3)13-22(33)18-6-4-16(12-21(18)28)25-29-8-9-32(25)2/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,30,31,34)
InChIKeyATFJBQDVTXKNOE-UHFFFAOYSA-N
XLogP4.56
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.95
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Betrixaban
CID 10275777
1-(5-Chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6-methoxyphenyl)ethyl]urea
CID 475283
1-(5-Chloropyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2-methoxyphenyl)ethyl]urea
CID 475282
N-(2-(5-chloropyridin-2-ylcarbamoyl)-4-methoxyphenyl)-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide
CID 10298858
3-methoxy-N-(5-methyl-2-pyridinyl)-2-naphthalenecarboxamide
CID 16391033
N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-5-(trifluoromethoxy)benzamide
CID 44565789
(2S)-N-(5-chloropyridin-2-yl)-2-[6-(trifluoromethyl)spiro[2H-1-benzofuran-3,4'-cyclohexane]-1'-yl]butanamide
CID 156327014
US10807959, Example 35
CID 146370837
N-(5-chloro-2-pyridinyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 1285237
N-{2-[4-(5-Chloro-pyridin-2-yl)-piperazin-1-yl]-ethyl}-3-methoxy-benzamide
CID 44369020
5-chloro-N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)-3-methoxybenzamido)benzamide
CID 44565759
3-(benzyloxy)-N-(5-chloropyridin-2-yl)benzamide
CID 738270

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-3-methoxy-5-methylbenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-3-methoxy-5-methylbenzamide (CID 59585473) is N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-3-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-3-methoxy-5-methylbenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-3-methoxy-5-methylbenzamide is COc1cc(C)cc(C(=O)Nc2ccc(Cl)cn2)c1CC(=O)c1ccc(C2=NCCN2C)cc1F.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-3-methoxy-5-methylbenzamide?
The InChIKey is ATFJBQDVTXKNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O3/c1-15-10-20(26(34)31-24-7-5-17(27)14-30-24)19(23(11-15)35-3)13-22(33)18-6-4-16(12-21(18)28)25-29-8-9-32(25)2/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,30,31,34).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-3-methoxy-5-methylbenzamide?
N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-3-methoxy-5-methylbenzamide has a molecular weight of 494.95 g/mol, XLogP of 4.56, 7 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)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-3-methoxy-5-methylbenzamide is sourced from PubChem (CID 59585473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).