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

C43H33FN8O7 — CID 123161154

IUPACmethyl 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
SMILESCOC(=O)c1cccc(-c2cnc(-c3cc(OC)cnc3-c3ccc(OC)nc3-c3ccc(NC(C)=O)nc3)c(C(=O)OC)c2-c2cc(F)cnc2-c2cccnc2)n1
InChIInChI=1S/C43H33FN8O7/c1-23(53)50-34-13-11-25(19-46-34)39-28(12-14-35(52-39)57-3)40-30(17-27(56-2)21-48-40)41-37(43(55)59-5)36(29-16-26(44)20-47-38(29)24-8-7-15-45-18-24)31(22-49-41)32-9-6-10-33(51-32)42(54)58-4/h6-22H,1-5H3,(H,46,50,53)
InChIKeyOUPYPLQMANVNOB-UHFFFAOYSA-N
MW792.78 g/mol
LogP7.14
Rot. Bonds11

About 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

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 (PubChem CID 123161154) has the molecular formula C43H33FN8O7 and a molecular weight of 792.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID123161154
Molecular FormulaC43H33FN8O7
Molecular Weight792.78 g/mol
Exact Mass792.25
IUPAC Namemethyl 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
SMILESCOC(=O)c1cccc(-c2cnc(-c3cc(OC)cnc3-c3ccc(OC)nc3-c3ccc(NC(C)=O)nc3)c(C(=O)OC)c2-c2cc(F)cnc2-c2cccnc2)n1
InChIInChI=1S/C43H33FN8O7/c1-23(53)50-34-13-11-25(19-46-34)39-28(12-14-35(52-39)57-3)40-30(17-27(56-2)21-48-40)41-37(43(55)59-5)36(29-16-26(44)20-47-38(29)24-8-7-15-45-18-24)31(22-49-41)32-9-6-10-33(51-32)42(54)58-4/h6-22H,1-5H3,(H,46,50,53)
InChIKeyOUPYPLQMANVNOB-UHFFFAOYSA-N
XLogP7.14
TPSA190.39 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500792.78
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 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 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

Methyl 7-Fluoro-8-(2-(4-((3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino)-2-oxabicyclo[2.2.2]octan-1-yl)ethyl)-1,5-naphthyridine-2-carboxylate
CID 71152709
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
5-(6-methoxy-3-pyridinyl)-6-phenyl-N-pyridin-2-ylpyridine-3-carboxamide
CID 172435934
(3S)-3-(2-fluorophenyl)-3-[[5-methoxy-6-(2-morpholin-4-yl-4-pyridinyl)pyridine-2-carbonyl]amino]propanoic acid
CID 102594250
6-fluoro-N-[(3R)-3-[4-[(5-methoxy-2-pyridinyl)-[(4-methyl-3-pyridinyl)methyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 57588225
N-[4-[2-(4-fluoroanilino)-6-[[3-(2-fluoropyridine-3-carbonyl)phenoxy]methyl]-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide
CID 58263731
Ethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate
CID 67873187
6-fluoro-N-[3-[4-[(5-methoxy-2-pyridinyl)-[(4-methyl-3-pyridinyl)methyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 68972353
1-[1-[[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]carbamoyl]cyclopropyl]-N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropane-1-carboxamide
CID 69147805
N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-methylpiperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 69656556
N-[5-(5-cyclopropyloxy-2-methyl-3-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 71010099
methyl 7-fluoro-8-[2-[4-[methyl-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-2-oxabicyclo[2.2.2]octan-1-yl]ethyl]-1,5-naphthyridine-2-carboxylate
CID 71152710

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)c1cccc(-c2cnc(-c3cc(OC)cnc3-c3ccc(OC)nc3-c3ccc(NC(C)=O)nc3)c(C(=O)OC)c2-c2cc(F)cnc2-c2cccnc2)n1.
What is the InChIKey of 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?
The InChIKey is OUPYPLQMANVNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33FN8O7/c1-23(53)50-34-13-11-25(19-46-34)39-28(12-14-35(52-39)57-3)40-30(17-27(56-2)21-48-40)41-37(43(55)59-5)36(29-16-26(44)20-47-38(29)24-8-7-15-45-18-24)31(22-49-41)32-9-6-10-33(51-32)42(54)58-4/h6-22H,1-5H3,(H,46,50,53).
What are the key properties of 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?
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 has a molecular weight of 792.78 g/mol, XLogP of 7.14, 11 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123161154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).