1-ethyl-1-[2-[1-(furan-3-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-propan-2-ylurea

C19H26N4O3 — CID 42813096

About 1-ethyl-1-[2-[1-(furan-3-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-propan-2-ylurea

1-ethyl-1-[2-[1-(furan-3-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-propan-2-ylurea (PubChem CID 42813096) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-ethyl-1-[2-[1-(furan-3-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-propan-2-ylurea.

Molecular Properties

• Compound Name: 1-ethyl-1-[2-[1-(furan-3-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-propan-2-ylurea
• PubChem CID: 42813096
• Molecular Formula: C19H26N4O3
• Molecular Weight: 358.44 g/mol
• Exact Mass: 358.20
• IUPAC Name: 1-ethyl-1-[2-[1-(furan-3-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-propan-2-ylurea
• SMILES: CCN(CC(=O)N1CCn2cccc2C1c1ccoc1)C(=O)NC(C)C
• InChI: InChI=1S/C19H26N4O3/c1-4-21(19(25)20-14(2)3)12-17(24)23-10-9-22-8-5-6-16(22)18(23)15-7-11-26-13-15/h5-8,11,13-14,18H,4,9-10,12H2,1-3H3,(H,20,25)
• InChIKey: OCLXFZSBCLIAMX-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 70.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.44
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[2-[1-(furan-3-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-propan-2-ylurea?

The IUPAC name of 1-ethyl-1-[2-[1-(furan-3-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-propan-2-ylurea (CID 42813096) is 1-ethyl-1-[2-[1-(furan-3-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-propan-2-ylurea.

What is the SMILES notation for 1-ethyl-1-[2-[1-(furan-3-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-propan-2-ylurea?

The canonical SMILES for 1-ethyl-1-[2-[1-(furan-3-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-propan-2-ylurea is CCN(CC(=O)N1CCn2cccc2C1c1ccoc1)C(=O)NC(C)C.

What is the InChIKey of 1-ethyl-1-[2-[1-(furan-3-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-propan-2-ylurea?

The InChIKey is OCLXFZSBCLIAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-21(19(25)20-14(2)3)12-17(24)23-10-9-22-8-5-6-16(22)18(23)15-7-11-26-13-15/h5-8,11,13-14,18H,4,9-10,12H2,1-3H3,(H,20,25).

What are the key properties of 1-ethyl-1-[2-[1-(furan-3-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-propan-2-ylurea?

1-ethyl-1-[2-[1-(furan-3-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-propan-2-ylurea has a molecular weight of 358.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-1-[2-[1-(furan-3-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-3-propan-2-ylurea is sourced from PubChem (CID 42813096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).