7-fluoro-6-[(1R)-1-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C18H21F2N5O2 — CID 156524238

About 7-fluoro-6-[(1R)-1-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

7-fluoro-6-[(1R)-1-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 156524238) has the molecular formula C18H21F2N5O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 7-fluoro-6-[(1R)-1-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

• Compound Name: 7-fluoro-6-[(1R)-1-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
• PubChem CID: 156524238
• Molecular Formula: C18H21F2N5O2
• Molecular Weight: 377.40 g/mol
• Exact Mass: 377.17
• IUPAC Name: 7-fluoro-6-[(1R)-1-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
• SMILES: C[C@@H]1CN(c2ncc(F)cn2)CCN1[C@H](C)c1nc2c(cc1F)OCCO2
• InChI: InChI=1S/C18H21F2N5O2/c1-11-10-24(18-21-8-13(19)9-22-18)3-4-25(11)12(2)16-14(20)7-15-17(23-16)27-6-5-26-15/h7-9,11-12H,3-6,10H2,1-2H3/t11-,12-/m1/s1
• InChIKey: PRDDZLFQTQCFLZ-VXGBXAGGSA-N
• XLogP: 2.19
• TPSA: 63.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.40
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[(1R)-1-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The IUPAC name of 7-fluoro-6-[(1R)-1-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 156524238) is 7-fluoro-6-[(1R)-1-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

What is the SMILES notation for 7-fluoro-6-[(1R)-1-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The canonical SMILES for 7-fluoro-6-[(1R)-1-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is C[C@@H]1CN(c2ncc(F)cn2)CCN1[C@H](C)c1nc2c(cc1F)OCCO2.

What is the InChIKey of 7-fluoro-6-[(1R)-1-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The InChIKey is PRDDZLFQTQCFLZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C18H21F2N5O2/c1-11-10-24(18-21-8-13(19)9-22-18)3-4-25(11)12(2)16-14(20)7-15-17(23-16)27-6-5-26-15/h7-9,11-12H,3-6,10H2,1-2H3/t11-,12-/m1/s1.

What are the key properties of 7-fluoro-6-[(1R)-1-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

7-fluoro-6-[(1R)-1-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 377.40 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-6-[(1R)-1-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 156524238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).