5-fluoro-6-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C21H18F2N8O3 — CID 53260782

About 5-fluoro-6-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-fluoro-6-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 53260782) has the molecular formula C21H18F2N8O3 and a molecular weight of 468.42 g/mol. Its IUPAC name is 5-fluoro-6-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-fluoro-6-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
• PubChem CID: 53260782
• Molecular Formula: C21H18F2N8O3
• Molecular Weight: 468.42 g/mol
• Exact Mass: 468.15
• IUPAC Name: 5-fluoro-6-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
• SMILES: O=C(c1[nH]c(=O)[nH]c(=O)c1F)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
• InChI: InChI=1S/C21H18F2N8O3/c22-11-3-4-15-25-8-13(31(15)9-11)18-24-6-5-14(27-18)26-12-2-1-7-30(10-12)20(33)17-16(23)19(32)29-21(34)28-17/h3-6,8-9,12H,1-2,7,10H2,(H,24,26,27)(H2,28,29,32,34)/t12-/m1/s1
• InChIKey: ZWDJVEVLIHOZGC-GFCCVEGCSA-N
• XLogP: 1.16
• TPSA: 141.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.42
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?

The IUPAC name of 5-fluoro-6-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 53260782) is 5-fluoro-6-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 5-fluoro-6-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?

The canonical SMILES for 5-fluoro-6-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1[nH]c(=O)[nH]c(=O)c1F)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.

What is the InChIKey of 5-fluoro-6-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?

The InChIKey is ZWDJVEVLIHOZGC-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H18F2N8O3/c22-11-3-4-15-25-8-13(31(15)9-11)18-24-6-5-14(27-18)26-12-2-1-7-30(10-12)20(33)17-16(23)19(32)29-21(34)28-17/h3-6,8-9,12H,1-2,7,10H2,(H,24,26,27)(H2,28,29,32,34)/t12-/m1/s1.

What are the key properties of 5-fluoro-6-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?

5-fluoro-6-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 468.42 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-6-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 53260782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).