ethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate

C19H21ClN4O3S — CID 23633928

IUPACethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N2CCC(n3ccc4c(Cl)c(C)[nH]c4c3=O)CC2)n1
InChIInChI=1S/C19H21ClN4O3S/c1-3-27-18(26)14-10-28-19(22-14)23-7-4-12(5-8-23)24-9-6-13-15(20)11(2)21-16(13)17(24)25/h6,9-10,12,21H,3-5,7-8H2,1-2H3
InChIKeyMZLHZYADDZKAFH-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.77
Rot. Bonds4

About ethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate

ethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate (PubChem CID 23633928) has the molecular formula C19H21ClN4O3S and a molecular weight of 420.92 g/mol. Its IUPAC name is ethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate
PubChem CID23633928
Molecular FormulaC19H21ClN4O3S
Molecular Weight420.92 g/mol
Exact Mass420.10
IUPAC Nameethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N2CCC(n3ccc4c(Cl)c(C)[nH]c4c3=O)CC2)n1
InChIInChI=1S/C19H21ClN4O3S/c1-3-27-18(26)14-10-28-19(22-14)23-7-4-12(5-8-23)24-9-6-13-15(20)11(2)21-16(13)17(24)25/h6,9-10,12,21H,3-5,7-8H2,1-2H3
InChIKeyMZLHZYADDZKAFH-UHFFFAOYSA-N
XLogP3.77
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate (CID 23633928) is ethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N2CCC(n3ccc4c(Cl)c(C)[nH]c4c3=O)CC2)n1.
What is the InChIKey of ethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is MZLHZYADDZKAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3S/c1-3-27-18(26)14-10-28-19(22-14)23-7-4-12(5-8-23)24-9-6-13-15(20)11(2)21-16(13)17(24)25/h6,9-10,12,21H,3-5,7-8H2,1-2H3.
What are the key properties of ethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate?
ethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 420.92 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 23633928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).