1-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl-methylamino]pentan-3-yl N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)carbamate;molecular hydrogen

C23H31FN6O4 — CID 156861713

About 1-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl-methylamino]pentan-3-yl N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)carbamate;molecular hydrogen

1-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl-methylamino]pentan-3-yl N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)carbamate;molecular hydrogen (PubChem CID 156861713) has the molecular formula C23H31FN6O4 and a molecular weight of 474.54 g/mol. Its IUPAC name is 1-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl-methylamino]pentan-3-yl N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)carbamate;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl-methylamino]pentan-3-yl N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)carbamate;molecular hydrogen
• PubChem CID: 156861713
• Molecular Formula: C23H31FN6O4
• Molecular Weight: 474.54 g/mol
• Exact Mass: 474.24
• IUPAC Name: 1-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl-methylamino]pentan-3-yl N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)carbamate;molecular hydrogen
• SMILES: CCC(CCN(C)CC1Cc2c(F)cnc(C)c2C1)OC(=O)Nc1cnc2c(n1)NC(=O)CO2.[H][H]
• InChI: InChI=1S/C23H29FN6O4.H2/c1-4-15(34-23(32)28-19-10-26-22-21(27-19)29-20(31)12-33-22)5-6-30(3)11-14-7-16-13(2)25-9-18(24)17(16)8-14;/h9-10,14-15H,4-8,11-12H2,1-3H3,(H2,27,28,29,31,32);1H
• InChIKey: UIHQWULRADJQIJ-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 118.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.54
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl-methylamino]pentan-3-yl N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)carbamate;molecular hydrogen?

The IUPAC name of 1-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl-methylamino]pentan-3-yl N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)carbamate;molecular hydrogen (CID 156861713) is 1-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl-methylamino]pentan-3-yl N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)carbamate;molecular hydrogen.

What is the SMILES notation for 1-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl-methylamino]pentan-3-yl N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)carbamate;molecular hydrogen?

The canonical SMILES for 1-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl-methylamino]pentan-3-yl N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)carbamate;molecular hydrogen is CCC(CCN(C)CC1Cc2c(F)cnc(C)c2C1)OC(=O)Nc1cnc2c(n1)NC(=O)CO2.[H][H].

What is the InChIKey of 1-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl-methylamino]pentan-3-yl N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)carbamate;molecular hydrogen?

The InChIKey is UIHQWULRADJQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O4.H2/c1-4-15(34-23(32)28-19-10-26-22-21(27-19)29-20(31)12-33-22)5-6-30(3)11-14-7-16-13(2)25-9-18(24)17(16)8-14;/h9-10,14-15H,4-8,11-12H2,1-3H3,(H2,27,28,29,31,32);1H.

What are the key properties of 1-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl-methylamino]pentan-3-yl N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)carbamate;molecular hydrogen?

1-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl-methylamino]pentan-3-yl N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)carbamate;molecular hydrogen has a molecular weight of 474.54 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl-methylamino]pentan-3-yl N-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)carbamate;molecular hydrogen is sourced from PubChem (CID 156861713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).