5-cyclopropyl-1-[(1R)-1-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one

C26H26FN5O3 — CID 70270238

About 5-cyclopropyl-1-[(1R)-1-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one

5-cyclopropyl-1-[(1R)-1-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one (PubChem CID 70270238) has the molecular formula C26H26FN5O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(1R)-1-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one.

Molecular Properties

• Compound Name: 5-cyclopropyl-1-[(1R)-1-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one
• PubChem CID: 70270238
• Molecular Formula: C26H26FN5O3
• Molecular Weight: 475.52 g/mol
• Exact Mass: 475.20
• IUPAC Name: 5-cyclopropyl-1-[(1R)-1-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one
• SMILES: COc1cc(Nc2cc(C3CC3)cn([C@@H](CO)c3cncc(F)c3)c2=O)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C26H26FN5O3/c1-16-12-31(15-29-16)23-6-5-21(9-25(23)35-2)30-22-8-19(17-3-4-17)13-32(26(22)34)24(14-33)18-7-20(27)11-28-10-18/h5-13,15,17,24,30,33H,3-4,14H2,1-2H3/t24-/m0/s1
• InChIKey: LMINLFLURUAVQC-DEOSSOPVSA-N
• XLogP: 4.09
• TPSA: 94.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.52
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(1R)-1-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one?

The IUPAC name of 5-cyclopropyl-1-[(1R)-1-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one (CID 70270238) is 5-cyclopropyl-1-[(1R)-1-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one.

What is the SMILES notation for 5-cyclopropyl-1-[(1R)-1-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one?

The canonical SMILES for 5-cyclopropyl-1-[(1R)-1-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one is COc1cc(Nc2cc(C3CC3)cn([C@@H](CO)c3cncc(F)c3)c2=O)ccc1-n1cnc(C)c1.

What is the InChIKey of 5-cyclopropyl-1-[(1R)-1-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one?

The InChIKey is LMINLFLURUAVQC-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H26FN5O3/c1-16-12-31(15-29-16)23-6-5-21(9-25(23)35-2)30-22-8-19(17-3-4-17)13-32(26(22)34)24(14-33)18-7-20(27)11-28-10-18/h5-13,15,17,24,30,33H,3-4,14H2,1-2H3/t24-/m0/s1.

What are the key properties of 5-cyclopropyl-1-[(1R)-1-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one?

5-cyclopropyl-1-[(1R)-1-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one has a molecular weight of 475.52 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-1-[(1R)-1-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one is sourced from PubChem (CID 70270238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).