(4S,5R)-4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid

C24H19F2N3O4S — CID 90090958

About (4S,5R)-4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid

(4S,5R)-4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid (PubChem CID 90090958) has the molecular formula C24H19F2N3O4S and a molecular weight of 483.50 g/mol. Its IUPAC name is (4S,5R)-4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid.

Molecular Properties

• Compound Name: (4S,5R)-4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid
• PubChem CID: 90090958
• Molecular Formula: C24H19F2N3O4S
• Molecular Weight: 483.50 g/mol
• Exact Mass: 483.11
• IUPAC Name: (4S,5R)-4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@H]1c2ccsc2C[C@H]1C(=O)O
• InChI: InChI=1S/C24H19F2N3O4S/c1-12-21(23(30)28-20-13-7-9-34-19(13)10-14(20)24(31)32)29-8-3-6-18(22(29)27-12)33-11-15-16(25)4-2-5-17(15)26/h2-9,14,20H,10-11H2,1H3,(H,28,30)(H,31,32)/t14-,20-/m1/s1
• InChIKey: OQCSJPKVRWRVCK-JLTOFOAXSA-N
• XLogP: 4.29
• TPSA: 92.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.50
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid?

The IUPAC name of (4S,5R)-4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid (CID 90090958) is (4S,5R)-4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid.

What is the SMILES notation for (4S,5R)-4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid?

The canonical SMILES for (4S,5R)-4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@H]1c2ccsc2C[C@H]1C(=O)O.

What is the InChIKey of (4S,5R)-4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid?

The InChIKey is OQCSJPKVRWRVCK-JLTOFOAXSA-N. The full InChI is InChI=1S/C24H19F2N3O4S/c1-12-21(23(30)28-20-13-7-9-34-19(13)10-14(20)24(31)32)29-8-3-6-18(22(29)27-12)33-11-15-16(25)4-2-5-17(15)26/h2-9,14,20H,10-11H2,1H3,(H,28,30)(H,31,32)/t14-,20-/m1/s1.

What are the key properties of (4S,5R)-4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid?

(4S,5R)-4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid has a molecular weight of 483.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-4-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid is sourced from PubChem (CID 90090958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).