methyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate

C66H51FN12O9 — CID 123986562

IUPACmethyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccc(-c2cnc(-c3c(-c4cc(OC)cnc4-c4ccc(OC)nc4-c4ccc(NC(C)=O)nc4-c4ccc(C)nc4-c4ccnc(OC)c4-c4ccncc4)ccnc3OC)c(C(=O)OC)c2-c2cc(F)cnc2-c2cccnc2)n1
InChIInChI=1S/C66H51FN12O9/c1-35-14-15-44(59(75-35)42-23-28-70-63(85-5)53(42)37-20-25-68-26-21-37)60-45(16-18-51(78-60)76-36(2)80)61-43(17-19-52(79-61)84-4)58-46(30-40(83-3)33-73-58)41-22-27-71-64(86-6)55(41)62-56(66(82)88-8)54(47-29-39(67)32-72-57(47)38-11-10-24-69-31-38)48(34-74-62)49-12-9-13-50(77-49)65(81)87-7/h9-34H,1-8H3,(H,76,78,80)
InChIKeyCUOFPSBRKLSYGX-UHFFFAOYSA-N
MW1175.21 g/mol
LogP11.72
Rot. Bonds17

About methyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate

methyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate (PubChem CID 123986562) has the molecular formula C66H51FN12O9 and a molecular weight of 1175.21 g/mol. Its IUPAC name is methyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
PubChem CID123986562
Molecular FormulaC66H51FN12O9
Molecular Weight1175.21 g/mol
Exact Mass1174.39
IUPAC Namemethyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccc(-c2cnc(-c3c(-c4cc(OC)cnc4-c4ccc(OC)nc4-c4ccc(NC(C)=O)nc4-c4ccc(C)nc4-c4ccnc(OC)c4-c4ccncc4)ccnc3OC)c(C(=O)OC)c2-c2cc(F)cnc2-c2cccnc2)n1
InChIInChI=1S/C66H51FN12O9/c1-35-14-15-44(59(75-35)42-23-28-70-63(85-5)53(42)37-20-25-68-26-21-37)60-45(16-18-51(78-60)76-36(2)80)61-43(17-19-52(79-61)84-4)58-46(30-40(83-3)33-73-58)41-22-27-71-64(86-6)55(41)62-56(66(82)88-8)54(47-29-39(67)32-72-57(47)38-11-10-24-69-31-38)48(34-74-62)49-12-9-13-50(77-49)65(81)87-7/h9-34H,1-8H3,(H,76,78,80)
InChIKeyCUOFPSBRKLSYGX-UHFFFAOYSA-N
XLogP11.72
TPSA260.41 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001175.21
LogP ≤ 511.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze methyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,6-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165381184
(3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid
CID 102594250
N-[5-(5-cyclopropyloxy-2-methyl-3-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 71010099
6-(3,3-difluoropiperidin-1-yl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one;ethyl 3-[4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidin-1-yl]propanoate
CID 87192076
2-acetamido-6-[[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]pyridine-3-carboxylic acid
CID 117836417
2-acetamido-6-[[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]pyridine-3-carboxylic acid
CID 117838336
Methyl 2-[2-[2-(6-acetamido-3-pyridinyl)-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
CID 123161154
N-[1-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyridin-3-yloxy-2-pyridinyl]propan-2-yl]-6-methyl-4-pyridin-3-yloxypyridine-2-carboxamide
CID 123742178
ethane;ethyl (2S)-2-[[4-[(3R)-3-(1,1-difluoroethyl)morpholin-4-yl]-2-fluoro-6-methylbenzoyl]amino]-3-[6-(7-methoxy-1-methyl-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl)-3-pyridinyl]propanoate
CID 156638587
4-[[6-[[5-(5-fluoro-2-pyridinyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide
CID 156871856
[6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane
CID 157330010
tris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-6-methyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine-4-carboxylic acid;3-methoxy-2-methyl-6-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine-3-carboxylic acid;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;4-methyl-6-propan-2-ylpyridine-3-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-yl-6-(4H-triazol-5-yl)pyridine;2-propan-2-yl-4-(trifluoromethyl)benzoic acid
CID 157541887

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate (CID 123986562) is methyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate is COC(=O)c1cccc(-c2cnc(-c3c(-c4cc(OC)cnc4-c4ccc(OC)nc4-c4ccc(NC(C)=O)nc4-c4ccc(C)nc4-c4ccnc(OC)c4-c4ccncc4)ccnc3OC)c(C(=O)OC)c2-c2cc(F)cnc2-c2cccnc2)n1.
What is the InChIKey of methyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate?
The InChIKey is CUOFPSBRKLSYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H51FN12O9/c1-35-14-15-44(59(75-35)42-23-28-70-63(85-5)53(42)37-20-25-68-26-21-37)60-45(16-18-51(78-60)76-36(2)80)61-43(17-19-52(79-61)84-4)58-46(30-40(83-3)33-73-58)41-22-27-71-64(86-6)55(41)62-56(66(82)88-8)54(47-29-39(67)32-72-57(47)38-11-10-24-69-31-38)48(34-74-62)49-12-9-13-50(77-49)65(81)87-7/h9-34H,1-8H3,(H,76,78,80).
What are the key properties of methyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate?
methyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate has a molecular weight of 1175.21 g/mol, XLogP of 11.72, 17 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate is sourced from PubChem (CID 123986562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).