ethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate

C33H29N7O3 — CID 15005377

IUPACethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1cccnc1
InChIInChI=1S/C33H29N7O3/c1-4-43-33(42)30-29(23-8-7-15-34-18-23)28(32(41)39-27-9-5-6-16-36-27)20(2)37-31(30)22-10-12-24(13-11-22)40-21(3)38-25-19-35-17-14-26(25)40/h5-19,29,37H,4H2,1-3H3,(H,36,39,41)
InChIKeyDWHIMPDZZGCBEM-UHFFFAOYSA-N
MW571.64 g/mol
LogP5.09
Rot. Bonds7

About ethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate

ethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate (PubChem CID 15005377) has the molecular formula C33H29N7O3 and a molecular weight of 571.64 g/mol. Its IUPAC name is ethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
PubChem CID15005377
Molecular FormulaC33H29N7O3
Molecular Weight571.64 g/mol
Exact Mass571.23
IUPAC Nameethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1cccnc1
InChIInChI=1S/C33H29N7O3/c1-4-43-33(42)30-29(23-8-7-15-34-18-23)28(32(41)39-27-9-5-6-16-36-27)20(2)37-31(30)22-10-12-24(13-11-22)40-21(3)38-25-19-35-17-14-26(25)40/h5-19,29,37H,4H2,1-3H3,(H,36,39,41)
InChIKeyDWHIMPDZZGCBEM-UHFFFAOYSA-N
XLogP5.09
TPSA123.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.64
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of ethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate (CID 15005377) is ethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate is CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1cccnc1.
What is the InChIKey of ethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate?
The InChIKey is DWHIMPDZZGCBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N7O3/c1-4-43-33(42)30-29(23-8-7-15-34-18-23)28(32(41)39-27-9-5-6-16-36-27)20(2)37-31(30)22-10-12-24(13-11-22)40-21(3)38-25-19-35-17-14-26(25)40/h5-19,29,37H,4H2,1-3H3,(H,36,39,41).
What are the key properties of ethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate?
ethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate has a molecular weight of 571.64 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 15005377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).