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

C34H29ClN6O3 — CID 54244828

IUPACethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-3-yl)phenyl]-3-(pyridin-2-ylcarbamoyl)-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(-n3c(C)nc4ccncc43)cc2)N=C(C)C(C(=O)Nc2ccccn2)C1c1ccccc1Cl
InChIInChI=1S/C34H29ClN6O3/c1-4-44-34(43)31-30(24-9-5-6-10-25(24)35)29(33(42)40-28-11-7-8-17-37-28)20(2)38-32(31)22-12-14-23(15-13-22)41-21(3)39-26-16-18-36-19-27(26)41/h5-19,29-30H,4H2,1-3H3,(H,37,40,42)
InChIKeyQSMYOGSTUHLYTG-UHFFFAOYSA-N
MW605.10 g/mol
LogP6.56
Rot. Bonds7

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

ethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-3-yl)phenyl]-3-(pyridin-2-ylcarbamoyl)-3,4-dihydropyridine-5-carboxylate (PubChem CID 54244828) has the molecular formula C34H29ClN6O3 and a molecular weight of 605.10 g/mol. Its IUPAC name is ethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-3-yl)phenyl]-3-(pyridin-2-ylcarbamoyl)-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-3-yl)phenyl]-3-(pyridin-2-ylcarbamoyl)-3,4-dihydropyridine-5-carboxylate
PubChem CID54244828
Molecular FormulaC34H29ClN6O3
Molecular Weight605.10 g/mol
Exact Mass604.20
IUPAC Nameethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-3-yl)phenyl]-3-(pyridin-2-ylcarbamoyl)-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(-n3c(C)nc4ccncc43)cc2)N=C(C)C(C(=O)Nc2ccccn2)C1c1ccccc1Cl
InChIInChI=1S/C34H29ClN6O3/c1-4-44-34(43)31-30(24-9-5-6-10-25(24)35)29(33(42)40-28-11-7-8-17-37-28)20(2)38-32(31)22-12-14-23(15-13-22)41-21(3)39-26-16-18-36-19-27(26)41/h5-19,29-30H,4H2,1-3H3,(H,37,40,42)
InChIKeyQSMYOGSTUHLYTG-UHFFFAOYSA-N
XLogP6.56
TPSA111.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.10
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-3-yl)phenyl]-3-(pyridin-2-ylcarbamoyl)-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-3-yl)phenyl]-3-(pyridin-2-ylcarbamoyl)-3,4-dihydropyridine-5-carboxylate (CID 54244828) is ethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-3-yl)phenyl]-3-(pyridin-2-ylcarbamoyl)-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-3-yl)phenyl]-3-(pyridin-2-ylcarbamoyl)-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-3-yl)phenyl]-3-(pyridin-2-ylcarbamoyl)-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(c2ccc(-n3c(C)nc4ccncc43)cc2)N=C(C)C(C(=O)Nc2ccccn2)C1c1ccccc1Cl.
What is the InChIKey of ethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-3-yl)phenyl]-3-(pyridin-2-ylcarbamoyl)-3,4-dihydropyridine-5-carboxylate?
The InChIKey is QSMYOGSTUHLYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29ClN6O3/c1-4-44-34(43)31-30(24-9-5-6-10-25(24)35)29(33(42)40-28-11-7-8-17-37-28)20(2)38-32(31)22-12-14-23(15-13-22)41-21(3)39-26-16-18-36-19-27(26)41/h5-19,29-30H,4H2,1-3H3,(H,37,40,42).
What are the key properties of ethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-3-yl)phenyl]-3-(pyridin-2-ylcarbamoyl)-3,4-dihydropyridine-5-carboxylate?
ethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-3-yl)phenyl]-3-(pyridin-2-ylcarbamoyl)-3,4-dihydropyridine-5-carboxylate has a molecular weight of 605.10 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-3-yl)phenyl]-3-(pyridin-2-ylcarbamoyl)-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 54244828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).