ethyl 6-[6-[6-[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]pyridine-2-carboxylate

C30H24N6O4 — CID 102348562

IUPACethyl 6-[6-[6-[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2cccc(-c3cc(-c4cccc(-c5cccc(C(=O)OCC)n5)n4)ncn3)n2)n1
InChIInChI=1S/C30H24N6O4/c1-3-39-29(37)25-15-7-11-21(35-25)19-9-5-13-23(33-19)27-17-28(32-18-31-27)24-14-6-10-20(34-24)22-12-8-16-26(36-22)30(38)40-4-2/h5-18H,3-4H2,1-2H3
InChIKeyCFGLKDXRKZDIBB-UHFFFAOYSA-N
MW532.56 g/mol
LogP5.08
Rot. Bonds8

About ethyl 6-[6-[6-[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]pyridine-2-carboxylate

ethyl 6-[6-[6-[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]pyridine-2-carboxylate (PubChem CID 102348562) has the molecular formula C30H24N6O4 and a molecular weight of 532.56 g/mol. Its IUPAC name is ethyl 6-[6-[6-[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[6-[6-[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]pyridine-2-carboxylate
PubChem CID102348562
Molecular FormulaC30H24N6O4
Molecular Weight532.56 g/mol
Exact Mass532.19
IUPAC Nameethyl 6-[6-[6-[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2cccc(-c3cc(-c4cccc(-c5cccc(C(=O)OCC)n5)n4)ncn3)n2)n1
InChIInChI=1S/C30H24N6O4/c1-3-39-29(37)25-15-7-11-21(35-25)19-9-5-13-23(33-19)27-17-28(32-18-31-27)24-14-6-10-20(34-24)22-12-8-16-26(36-22)30(38)40-4-2/h5-18H,3-4H2,1-2H3
InChIKeyCFGLKDXRKZDIBB-UHFFFAOYSA-N
XLogP5.08
TPSA129.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.56
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 6-[6-[6-[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4-carboxylate;[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]methanol
CID 158960566
Ethyl 6-[6-(6-ethoxycarbonyl-2-pyridinyl)pyrimidin-4-yl]pyridine-2-carboxylate
CID 5245552
Di-2-(pyridyl)methyl 1,8-naphthyridine-2,7-dicarboxylate
CID 168340350
(6-Methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl 5-fluoropyridine-2-carboxylate
CID 75503176
[2-Oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 6-(difluoromethyl)pyridine-2-carboxylate
CID 166258898
Ethyl 6-(pyrimidin-2-ylcarbamoyl)pyridine-2-carboxylate
CID 3956092
Methyl 2-(1H-imidazol-1-yl)-4,8-dimorpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylate
CID 45257067
Methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate
CID 58508119
2-[2-(Pyridin-2-yl)-ethoxy]-4-(methoxycarbonyl)-6-(morpholin-4-yl)-pyrimidine
CID 59258597
Butyl 2-morpholin-4-yl-6-(4-pyridin-3-ylphenyl)pyrimidine-4-carboxylate
CID 70853511
Ethane;methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate
CID 91400100
Ethyl 2-[6-(4-ethylpyrimidin-2-yl)-4-methoxycarbonyl-2-pyridinyl]pyrimidine-4-carboxylate
CID 118653307

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[6-[6-[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[6-[6-[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]pyridine-2-carboxylate (CID 102348562) is ethyl 6-[6-[6-[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[6-[6-[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[6-[6-[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(-c2cccc(-c3cc(-c4cccc(-c5cccc(C(=O)OCC)n5)n4)ncn3)n2)n1.
What is the InChIKey of ethyl 6-[6-[6-[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]pyridine-2-carboxylate?
The InChIKey is CFGLKDXRKZDIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O4/c1-3-39-29(37)25-15-7-11-21(35-25)19-9-5-13-23(33-19)27-17-28(32-18-31-27)24-14-6-10-20(34-24)22-12-8-16-26(36-22)30(38)40-4-2/h5-18H,3-4H2,1-2H3.
What are the key properties of ethyl 6-[6-[6-[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]pyridine-2-carboxylate?
ethyl 6-[6-[6-[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]pyridine-2-carboxylate has a molecular weight of 532.56 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[6-[6-[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]pyridine-2-carboxylate is sourced from PubChem (CID 102348562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).