methyl (2Z)-2-[(7R)-5-amino-6-cyano-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7-pyridin-3-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate

C24H19N5O5S — CID 2716378

About methyl (2Z)-2-[(7R)-5-amino-6-cyano-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7-pyridin-3-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate

methyl (2Z)-2-[(7R)-5-amino-6-cyano-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7-pyridin-3-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate (PubChem CID 2716378) has the molecular formula C24H19N5O5S and a molecular weight of 489.51 g/mol. Its IUPAC name is methyl (2Z)-2-[(7R)-5-amino-6-cyano-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7-pyridin-3-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate.

Molecular Properties

• Compound Name: methyl (2Z)-2-[(7R)-5-amino-6-cyano-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7-pyridin-3-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate
• PubChem CID: 2716378
• Molecular Formula: C24H19N5O5S
• Molecular Weight: 489.51 g/mol
• Exact Mass: 489.11
• IUPAC Name: methyl (2Z)-2-[(7R)-5-amino-6-cyano-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7-pyridin-3-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate
• SMILES: COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccnc1)C=2C(=O)Nc1ccc(OC)cc1
• InChI: InChI=1S/C24H19N5O5S/c1-33-15-7-5-14(6-8-15)28-22(31)20-19(13-4-3-9-27-12-13)16(11-25)21(26)29-23(32)17(35-24(20)29)10-18(30)34-2/h3-10,12,19H,26H2,1-2H3,(H,28,31)/b17-10-/t19-/m1/s1
• InChIKey: MVNJTSVXDUZMOG-WSDUQJHMSA-N
• XLogP: 0.50
• TPSA: 149.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.51
LogP ≤ 5	0.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(7R)-5-amino-6-cyano-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7-pyridin-3-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate?

The IUPAC name of methyl (2Z)-2-[(7R)-5-amino-6-cyano-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7-pyridin-3-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate (CID 2716378) is methyl (2Z)-2-[(7R)-5-amino-6-cyano-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7-pyridin-3-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate.

What is the SMILES notation for methyl (2Z)-2-[(7R)-5-amino-6-cyano-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7-pyridin-3-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate?

The canonical SMILES for methyl (2Z)-2-[(7R)-5-amino-6-cyano-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7-pyridin-3-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate is COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccnc1)C=2C(=O)Nc1ccc(OC)cc1.

What is the InChIKey of methyl (2Z)-2-[(7R)-5-amino-6-cyano-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7-pyridin-3-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate?

The InChIKey is MVNJTSVXDUZMOG-WSDUQJHMSA-N. The full InChI is InChI=1S/C24H19N5O5S/c1-33-15-7-5-14(6-8-15)28-22(31)20-19(13-4-3-9-27-12-13)16(11-25)21(26)29-23(32)17(35-24(20)29)10-18(30)34-2/h3-10,12,19H,26H2,1-2H3,(H,28,31)/b17-10-/t19-/m1/s1.

What are the key properties of methyl (2Z)-2-[(7R)-5-amino-6-cyano-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7-pyridin-3-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate?

methyl (2Z)-2-[(7R)-5-amino-6-cyano-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7-pyridin-3-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate has a molecular weight of 489.51 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2Z)-2-[(7R)-5-amino-6-cyano-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7-pyridin-3-yl-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate is sourced from PubChem (CID 2716378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).