5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;bis(5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one);N-[(4-methoxyphenyl)methyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide

C112H99Cl3F3N13O12 — CID 160599214

IUPAC5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;bis(5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one);N-[(4-methoxyphenyl)methyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Cc3ccc(-n4cnc(C)c4)c(C)c3)c(=O)n(Cc3ccc(C)cc3)c2)cc1.Cc1cn(-c2ccc(C(=O)c3cc(Cl)cn(C4CCOc5ccc(F)cc54)c3=O)cc2C)cn1.Cc1cn(-c2ccc(C(=O)c3cc(Cl)cn(C4CCOc5ccc(F)cc54)c3=O)cc2C)cn1.Cc1cn(-c2ccc(C(O)c3cc(Cl)cn(C4CCOc5ccc(F)cc54)c3=O)cc2C)cn1
InChIInChI=1S/C34H34N4O3.C26H23ClFN3O3.2C26H21ClFN3O3/c1-23-5-7-27(8-6-23)20-37-21-30(33(39)35-18-26-9-12-31(41-4)13-10-26)17-29(34(37)40)16-28-11-14-32(24(2)15-28)38-19-25(3)36-22-38;3*1-15-9-17(3-5-22(15)30-12-16(2)29-14-30)25(32)21-10-18(27)13-31(26(21)33)23-7-8-34-24-6-4-19(28)11-20(23)24/h5-15,17,19,21-22H,16,18,20H2,1-4H3,(H,35,39);3-6,9-14,23,25,32H,7-8H2,1-2H3;2*3-6,9-14,23H,7-8H2,1-2H3
InChIKeyREAWOYCGMWKJCP-UHFFFAOYSA-N
MW1982.46 g/mol
LogP20.53
Rot. Bonds21

About 5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;bis(5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one);N-[(4-methoxyphenyl)methyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide

5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;bis(5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one);N-[(4-methoxyphenyl)methyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 160599214) has the molecular formula C112H99Cl3F3N13O12 and a molecular weight of 1982.46 g/mol. Its IUPAC name is 5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;bis(5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one);N-[(4-methoxyphenyl)methyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;bis(5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one);N-[(4-methoxyphenyl)methyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID160599214
Molecular FormulaC112H99Cl3F3N13O12
Molecular Weight1982.46 g/mol
Exact Mass1979.66
IUPAC Name5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;bis(5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one);N-[(4-methoxyphenyl)methyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Cc3ccc(-n4cnc(C)c4)c(C)c3)c(=O)n(Cc3ccc(C)cc3)c2)cc1.Cc1cn(-c2ccc(C(=O)c3cc(Cl)cn(C4CCOc5ccc(F)cc54)c3=O)cc2C)cn1.Cc1cn(-c2ccc(C(=O)c3cc(Cl)cn(C4CCOc5ccc(F)cc54)c3=O)cc2C)cn1.Cc1cn(-c2ccc(C(O)c3cc(Cl)cn(C4CCOc5ccc(F)cc54)c3=O)cc2C)cn1
InChIInChI=1S/C34H34N4O3.C26H23ClFN3O3.2C26H21ClFN3O3/c1-23-5-7-27(8-6-23)20-37-21-30(33(39)35-18-26-9-12-31(41-4)13-10-26)17-29(34(37)40)16-28-11-14-32(24(2)15-28)38-19-25(3)36-22-38;3*1-15-9-17(3-5-22(15)30-12-16(2)29-14-30)25(32)21-10-18(27)13-31(26(21)33)23-7-8-34-24-6-4-19(28)11-20(23)24/h5-15,17,19,21-22H,16,18,20H2,1-4H3,(H,35,39);3-6,9-14,23,25,32H,7-8H2,1-2H3;2*3-6,9-14,23H,7-8H2,1-2H3
InChIKeyREAWOYCGMWKJCP-UHFFFAOYSA-N
XLogP20.53
TPSA279.67 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001982.46
LogP ≤ 520.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;bis(5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one);N-[(4-methoxyphenyl)methyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

N-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 159516627
methyl 1-[1-(4-fluorophenyl)ethyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-oxopyridine-3-carboxylate
CID 58217862
methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate
CID 159516626
5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one
CID 160678101
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 70687594
5-cyclopropyl-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-one
CID 159585879
5-chloro-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(1S)-1-(3,4,5-trifluorophenyl)ethyl]pyridin-2-one
CID 58110805
1-(cyclopropylmethyl)-3-[1-(4-fluorophenyl)ethyl]-5-[(E)-N-hydroxy-C-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]carbonimidoyl]pyrimidine-2,4-dione
CID 58217855
methyl 1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carboxylate
CID 70271568
N-[(4-fluorophenyl)methyl]-4-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide
CID 4590099
3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydro-1H-indolizin-5-one
CID 59591030
1-[1-[3,5-bis(trifluoromethyl)phenyl]propyl]-5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one
CID 143815636

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;bis(5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one);N-[(4-methoxyphenyl)methyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;bis(5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one);N-[(4-methoxyphenyl)methyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide (CID 160599214) is 5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;bis(5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one);N-[(4-methoxyphenyl)methyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;bis(5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one);N-[(4-methoxyphenyl)methyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;bis(5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one);N-[(4-methoxyphenyl)methyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide is COc1ccc(CNC(=O)c2cc(Cc3ccc(-n4cnc(C)c4)c(C)c3)c(=O)n(Cc3ccc(C)cc3)c2)cc1.Cc1cn(-c2ccc(C(=O)c3cc(Cl)cn(C4CCOc5ccc(F)cc54)c3=O)cc2C)cn1.Cc1cn(-c2ccc(C(=O)c3cc(Cl)cn(C4CCOc5ccc(F)cc54)c3=O)cc2C)cn1.Cc1cn(-c2ccc(C(O)c3cc(Cl)cn(C4CCOc5ccc(F)cc54)c3=O)cc2C)cn1.
What is the InChIKey of 5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;bis(5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one);N-[(4-methoxyphenyl)methyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is REAWOYCGMWKJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O3.C26H23ClFN3O3.2C26H21ClFN3O3/c1-23-5-7-27(8-6-23)20-37-21-30(33(39)35-18-26-9-12-31(41-4)13-10-26)17-29(34(37)40)16-28-11-14-32(24(2)15-28)38-19-25(3)36-22-38;3*1-15-9-17(3-5-22(15)30-12-16(2)29-14-30)25(32)21-10-18(27)13-31(26(21)33)23-7-8-34-24-6-4-19(28)11-20(23)24/h5-15,17,19,21-22H,16,18,20H2,1-4H3,(H,35,39);3-6,9-14,23,25,32H,7-8H2,1-2H3;2*3-6,9-14,23H,7-8H2,1-2H3.
What are the key properties of 5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;bis(5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one);N-[(4-methoxyphenyl)methyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;bis(5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one);N-[(4-methoxyphenyl)methyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 1982.46 g/mol, XLogP of 20.53, 21 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;bis(5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one);N-[(4-methoxyphenyl)methyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 160599214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).