[(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone

C21H17F3N6O3 — CID 155368385

About [(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone

[(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone (PubChem CID 155368385) has the molecular formula C21H17F3N6O3 and a molecular weight of 458.40 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone.

Molecular Properties

• Compound Name: [(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone
• PubChem CID: 155368385
• Molecular Formula: C21H17F3N6O3
• Molecular Weight: 458.40 g/mol
• Exact Mass: 458.13
• IUPAC Name: [(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone
• SMILES: Cn1c(C(=O)N2CC[C@H](O)C2)cc2cc(-c3cc(-c4noc(C(F)(F)F)n4)ccn3)ncc21
• InChI: InChI=1S/C21H17F3N6O3/c1-29-16(19(32)30-5-3-13(31)10-30)8-12-7-15(26-9-17(12)29)14-6-11(2-4-25-14)18-27-20(33-28-18)21(22,23)24/h2,4,6-9,13,31H,3,5,10H2,1H3/t13-/m0/s1
• InChIKey: IAJWFSMXIWVZMD-ZDUSSCGKSA-N
• XLogP: 2.91
• TPSA: 110.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.40
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone?

The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone (CID 155368385) is [(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone.

What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone?

The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone is Cn1c(C(=O)N2CC[C@H](O)C2)cc2cc(-c3cc(-c4noc(C(F)(F)F)n4)ccn3)ncc21.

What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone?

The InChIKey is IAJWFSMXIWVZMD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H17F3N6O3/c1-29-16(19(32)30-5-3-13(31)10-30)8-12-7-15(26-9-17(12)29)14-6-11(2-4-25-14)18-27-20(33-28-18)21(22,23)24/h2,4,6-9,13,31H,3,5,10H2,1H3/t13-/m0/s1.

What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone?

[(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone has a molecular weight of 458.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-hydroxypyrrolidin-1-yl]-[1-methyl-5-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]pyrrolo[2,3-c]pyridin-2-yl]methanone is sourced from PubChem (CID 155368385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).