2-[2-[6-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethyl]-4-hydroxy-1-prop-2-enoylpyrrolidine-2-carboxamide

C24H23FN8O3S — CID 175912988

About 2-[2-[6-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethyl]-4-hydroxy-1-prop-2-enoylpyrrolidine-2-carboxamide

2-[2-[6-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethyl]-4-hydroxy-1-prop-2-enoylpyrrolidine-2-carboxamide (PubChem CID 175912988) has the molecular formula C24H23FN8O3S and a molecular weight of 522.57 g/mol. Its IUPAC name is 2-[2-[6-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethyl]-4-hydroxy-1-prop-2-enoylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 2-[2-[6-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethyl]-4-hydroxy-1-prop-2-enoylpyrrolidine-2-carboxamide
• PubChem CID: 175912988
• Molecular Formula: C24H23FN8O3S
• Molecular Weight: 522.57 g/mol
• Exact Mass: 522.16
• IUPAC Name: 2-[2-[6-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethyl]-4-hydroxy-1-prop-2-enoylpyrrolidine-2-carboxamide
• SMILES: C=CC(=O)N1CC(O)CC1(CCn1cnc2cnc(Nc3ncc(-c4ncccc4F)s3)cc21)C(N)=O
• InChI: InChI=1S/C24H23FN8O3S/c1-2-20(35)33-12-14(34)9-24(33,22(26)36)5-7-32-13-30-16-10-28-19(8-17(16)32)31-23-29-11-18(37-23)21-15(25)4-3-6-27-21/h2-4,6,8,10-11,13-14,34H,1,5,7,9,12H2,(H2,26,36)(H,28,29,31)
• InChIKey: XOIDKAJSUWFBRI-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 152.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.57
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethyl]-4-hydroxy-1-prop-2-enoylpyrrolidine-2-carboxamide?

The IUPAC name of 2-[2-[6-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethyl]-4-hydroxy-1-prop-2-enoylpyrrolidine-2-carboxamide (CID 175912988) is 2-[2-[6-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethyl]-4-hydroxy-1-prop-2-enoylpyrrolidine-2-carboxamide.

What is the SMILES notation for 2-[2-[6-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethyl]-4-hydroxy-1-prop-2-enoylpyrrolidine-2-carboxamide?

The canonical SMILES for 2-[2-[6-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethyl]-4-hydroxy-1-prop-2-enoylpyrrolidine-2-carboxamide is C=CC(=O)N1CC(O)CC1(CCn1cnc2cnc(Nc3ncc(-c4ncccc4F)s3)cc21)C(N)=O.

What is the InChIKey of 2-[2-[6-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethyl]-4-hydroxy-1-prop-2-enoylpyrrolidine-2-carboxamide?

The InChIKey is XOIDKAJSUWFBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN8O3S/c1-2-20(35)33-12-14(34)9-24(33,22(26)36)5-7-32-13-30-16-10-28-19(8-17(16)32)31-23-29-11-18(37-23)21-15(25)4-3-6-27-21/h2-4,6,8,10-11,13-14,34H,1,5,7,9,12H2,(H2,26,36)(H,28,29,31).

What are the key properties of 2-[2-[6-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethyl]-4-hydroxy-1-prop-2-enoylpyrrolidine-2-carboxamide?

2-[2-[6-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethyl]-4-hydroxy-1-prop-2-enoylpyrrolidine-2-carboxamide has a molecular weight of 522.57 g/mol, XLogP of 2.23, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[6-[[5-(3-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]imidazo[4,5-c]pyridin-1-yl]ethyl]-4-hydroxy-1-prop-2-enoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 175912988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).