N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C20H18FN3O2S — CID 72847767

About N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 72847767) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
• PubChem CID: 72847767
• Molecular Formula: C20H18FN3O2S
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.11
• IUPAC Name: N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
• SMILES: COc1nc2c(cc1C(=O)NCc1nc(-c3ccc(F)cc3)cs1)CCC2
• InChI: InChI=1S/C20H18FN3O2S/c1-26-20-15(9-13-3-2-4-16(13)24-20)19(25)22-10-18-23-17(11-27-18)12-5-7-14(21)8-6-12/h5-9,11H,2-4,10H2,1H3,(H,22,25)
• InChIKey: AHTSAHVPUATPBQ-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The IUPAC name of N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 72847767) is N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

What is the SMILES notation for N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The canonical SMILES for N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is COc1nc2c(cc1C(=O)NCc1nc(-c3ccc(F)cc3)cs1)CCC2.

What is the InChIKey of N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The InChIKey is AHTSAHVPUATPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-26-20-15(9-13-3-2-4-16(13)24-20)19(25)22-10-18-23-17(11-27-18)12-5-7-14(21)8-6-12/h5-9,11H,2-4,10H2,1H3,(H,22,25).

What are the key properties of N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 72847767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).