5-ethyl-N-[(3R)-6-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C23H25N5O4 — CID 152719382

About 5-ethyl-N-[(3R)-6-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

5-ethyl-N-[(3R)-6-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 152719382) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 5-ethyl-N-[(3R)-6-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-ethyl-N-[(3R)-6-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
• PubChem CID: 152719382
• Molecular Formula: C23H25N5O4
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.19
• IUPAC Name: 5-ethyl-N-[(3R)-6-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
• SMILES: CCC1CCn2nc(C(=O)N[C@H]3COc4ccc(-c5cnc(OC)nc5)cc4C3)cc2O1
• InChI: InChI=1S/C23H25N5O4/c1-3-18-6-7-28-21(32-18)10-19(27-28)22(29)26-17-9-15-8-14(4-5-20(15)31-13-17)16-11-24-23(30-2)25-12-16/h4-5,8,10-12,17-18H,3,6-7,9,13H2,1-2H3,(H,26,29)/t17-,18?/m1/s1
• InChIKey: ZVHFXDMCHPFEKC-QNSVNVJESA-N
• XLogP: 2.64
• TPSA: 100.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3R)-6-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

The IUPAC name of 5-ethyl-N-[(3R)-6-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 152719382) is 5-ethyl-N-[(3R)-6-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

What is the SMILES notation for 5-ethyl-N-[(3R)-6-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

The canonical SMILES for 5-ethyl-N-[(3R)-6-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is CCC1CCn2nc(C(=O)N[C@H]3COc4ccc(-c5cnc(OC)nc5)cc4C3)cc2O1.

What is the InChIKey of 5-ethyl-N-[(3R)-6-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

The InChIKey is ZVHFXDMCHPFEKC-QNSVNVJESA-N. The full InChI is InChI=1S/C23H25N5O4/c1-3-18-6-7-28-21(32-18)10-19(27-28)22(29)26-17-9-15-8-14(4-5-20(15)31-13-17)16-11-24-23(30-2)25-12-16/h4-5,8,10-12,17-18H,3,6-7,9,13H2,1-2H3,(H,26,29)/t17-,18?/m1/s1.

What are the key properties of 5-ethyl-N-[(3R)-6-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

5-ethyl-N-[(3R)-6-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-N-[(3R)-6-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 152719382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).