N-[5-(4-chlorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-cyano-2-(3-oxopiperidin-1-yl)pyridine-3-carboxamide

C24H17ClN6O2S — CID 175680034

IUPACN-[5-(4-chlorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-cyano-2-(3-oxopiperidin-1-yl)pyridine-3-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2nc3ccc(-c4ccc(Cl)cc4)nc3s2)c(N2CCCC(=O)C2)n1
InChIInChI=1S/C24H17ClN6O2S/c25-15-5-3-14(4-6-15)19-9-10-20-23(28-19)34-24(29-20)30-22(33)18-8-7-16(12-26)27-21(18)31-11-1-2-17(32)13-31/h3-10H,1-2,11,13H2,(H,29,30,33)
InChIKeyVVKOUQMQBKYQDT-UHFFFAOYSA-N
MW488.96 g/mol
LogP4.70
Rot. Bonds4

About N-[5-(4-chlorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-cyano-2-(3-oxopiperidin-1-yl)pyridine-3-carboxamide

N-[5-(4-chlorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-cyano-2-(3-oxopiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 175680034) has the molecular formula C24H17ClN6O2S and a molecular weight of 488.96 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-cyano-2-(3-oxopiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-cyano-2-(3-oxopiperidin-1-yl)pyridine-3-carboxamide
PubChem CID175680034
Molecular FormulaC24H17ClN6O2S
Molecular Weight488.96 g/mol
Exact Mass488.08
IUPAC NameN-[5-(4-chlorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-cyano-2-(3-oxopiperidin-1-yl)pyridine-3-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2nc3ccc(-c4ccc(Cl)cc4)nc3s2)c(N2CCCC(=O)C2)n1
InChIInChI=1S/C24H17ClN6O2S/c25-15-5-3-14(4-6-15)19-9-10-20-23(28-19)34-24(29-20)30-22(33)18-8-7-16(12-26)27-21(18)31-11-1-2-17(32)13-31/h3-10H,1-2,11,13H2,(H,29,30,33)
InChIKeyVVKOUQMQBKYQDT-UHFFFAOYSA-N
XLogP4.70
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.96
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-cyano-2-(3-oxopiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[5-(4-chlorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-cyano-2-(3-oxopiperidin-1-yl)pyridine-3-carboxamide (CID 175680034) is N-[5-(4-chlorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-cyano-2-(3-oxopiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-cyano-2-(3-oxopiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-cyano-2-(3-oxopiperidin-1-yl)pyridine-3-carboxamide is N#Cc1ccc(C(=O)Nc2nc3ccc(-c4ccc(Cl)cc4)nc3s2)c(N2CCCC(=O)C2)n1.
What is the InChIKey of N-[5-(4-chlorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-cyano-2-(3-oxopiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is VVKOUQMQBKYQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN6O2S/c25-15-5-3-14(4-6-15)19-9-10-20-23(28-19)34-24(29-20)30-22(33)18-8-7-16(12-26)27-21(18)31-11-1-2-17(32)13-31/h3-10H,1-2,11,13H2,(H,29,30,33).
What are the key properties of N-[5-(4-chlorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-cyano-2-(3-oxopiperidin-1-yl)pyridine-3-carboxamide?
N-[5-(4-chlorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-cyano-2-(3-oxopiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 488.96 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-6-cyano-2-(3-oxopiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175680034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).