5-[6-[(3-acetamidopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide

C27H28ClN5O3S — CID 67436334

About 5-[6-[(3-acetamidopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide

5-[6-[(3-acetamidopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide (PubChem CID 67436334) has the molecular formula C27H28ClN5O3S and a molecular weight of 538.07 g/mol. Its IUPAC name is 5-[6-[(3-acetamidopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[6-[(3-acetamidopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
• PubChem CID: 67436334
• Molecular Formula: C27H28ClN5O3S
• Molecular Weight: 538.07 g/mol
• Exact Mass: 537.16
• IUPAC Name: 5-[6-[(3-acetamidopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
• SMILES: CC(=O)NC1CCN(Cc2ccc3ncc(-c4cc(OC(C)c5ccccc5Cl)c(C(N)=O)s4)n3c2)C1
• InChI: InChI=1S/C27H28ClN5O3S/c1-16(20-5-3-4-6-21(20)28)36-23-11-24(37-26(23)27(29)35)22-12-30-25-8-7-18(14-33(22)25)13-32-10-9-19(15-32)31-17(2)34/h3-8,11-12,14,16,19H,9-10,13,15H2,1-2H3,(H2,29,35)(H,31,34)
• InChIKey: BCYSKCQHBBZJEF-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 101.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.07
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3-acetamidopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?

The IUPAC name of 5-[6-[(3-acetamidopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide (CID 67436334) is 5-[6-[(3-acetamidopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide.

What is the SMILES notation for 5-[6-[(3-acetamidopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?

The canonical SMILES for 5-[6-[(3-acetamidopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide is CC(=O)NC1CCN(Cc2ccc3ncc(-c4cc(OC(C)c5ccccc5Cl)c(C(N)=O)s4)n3c2)C1.

What is the InChIKey of 5-[6-[(3-acetamidopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?

The InChIKey is BCYSKCQHBBZJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O3S/c1-16(20-5-3-4-6-21(20)28)36-23-11-24(37-26(23)27(29)35)22-12-30-25-8-7-18(14-33(22)25)13-32-10-9-19(15-32)31-17(2)34/h3-8,11-12,14,16,19H,9-10,13,15H2,1-2H3,(H2,29,35)(H,31,34).

What are the key properties of 5-[6-[(3-acetamidopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?

5-[6-[(3-acetamidopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide has a molecular weight of 538.07 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[(3-acetamidopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 67436334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).