(2R)-2-benzyl-5-[4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)piperazin-1-yl]-4-hydroxypentanamide;2,3-dihydro-1H-indene;N-(2-fluoroethyl)formamide

C38H50FN5O4 — CID 142065841

About (2R)-2-benzyl-5-[4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)piperazin-1-yl]-4-hydroxypentanamide;2,3-dihydro-1H-indene;N-(2-fluoroethyl)formamide

(2R)-2-benzyl-5-[4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)piperazin-1-yl]-4-hydroxypentanamide;2,3-dihydro-1H-indene;N-(2-fluoroethyl)formamide (PubChem CID 142065841) has the molecular formula C38H50FN5O4 and a molecular weight of 659.85 g/mol. Its IUPAC name is (2R)-2-benzyl-5-[4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)piperazin-1-yl]-4-hydroxypentanamide;2,3-dihydro-1H-indene;N-(2-fluoroethyl)formamide.

Molecular Properties

• Compound Name: (2R)-2-benzyl-5-[4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)piperazin-1-yl]-4-hydroxypentanamide;2,3-dihydro-1H-indene;N-(2-fluoroethyl)formamide
• PubChem CID: 142065841
• Molecular Formula: C38H50FN5O4
• Molecular Weight: 659.85 g/mol
• Exact Mass: 659.38
• IUPAC Name: (2R)-2-benzyl-5-[4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)piperazin-1-yl]-4-hydroxypentanamide;2,3-dihydro-1H-indene;N-(2-fluoroethyl)formamide
• SMILES: CC(C)(c1cc2cnccc2o1)N1CCN(CC(O)C[C@@H](Cc2ccccc2)C(N)=O)CC1.O=CNCCF.c1ccc2c(c1)CCC2
• InChI: InChI=1S/C26H34N4O3.C9H10.C3H6FNO/c1-26(2,24-16-21-17-28-9-8-23(21)33-24)30-12-10-29(11-13-30)18-22(31)15-20(25(27)32)14-19-6-4-3-5-7-19;1-2-5-9-7-3-6-8(9)4-1;4-1-2-5-3-6/h3-9,16-17,20,22,31H,10-15,18H2,1-2H3,(H2,27,32);1-2,4-5H,3,6-7H2;3H,1-2H2,(H,5,6)/t20-,22?;;/m1../s1
• InChIKey: XEYRDEDEUCZYMU-QRKFFEHMSA-N
• XLogP: 4.65
• TPSA: 124.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	659.85
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-5-[4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)piperazin-1-yl]-4-hydroxypentanamide;2,3-dihydro-1H-indene;N-(2-fluoroethyl)formamide?

The IUPAC name of (2R)-2-benzyl-5-[4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)piperazin-1-yl]-4-hydroxypentanamide;2,3-dihydro-1H-indene;N-(2-fluoroethyl)formamide (CID 142065841) is (2R)-2-benzyl-5-[4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)piperazin-1-yl]-4-hydroxypentanamide;2,3-dihydro-1H-indene;N-(2-fluoroethyl)formamide.

What is the SMILES notation for (2R)-2-benzyl-5-[4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)piperazin-1-yl]-4-hydroxypentanamide;2,3-dihydro-1H-indene;N-(2-fluoroethyl)formamide?

The canonical SMILES for (2R)-2-benzyl-5-[4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)piperazin-1-yl]-4-hydroxypentanamide;2,3-dihydro-1H-indene;N-(2-fluoroethyl)formamide is CC(C)(c1cc2cnccc2o1)N1CCN(CC(O)C[C@@H](Cc2ccccc2)C(N)=O)CC1.O=CNCCF.c1ccc2c(c1)CCC2.

What is the InChIKey of (2R)-2-benzyl-5-[4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)piperazin-1-yl]-4-hydroxypentanamide;2,3-dihydro-1H-indene;N-(2-fluoroethyl)formamide?

The InChIKey is XEYRDEDEUCZYMU-QRKFFEHMSA-N. The full InChI is InChI=1S/C26H34N4O3.C9H10.C3H6FNO/c1-26(2,24-16-21-17-28-9-8-23(21)33-24)30-12-10-29(11-13-30)18-22(31)15-20(25(27)32)14-19-6-4-3-5-7-19;1-2-5-9-7-3-6-8(9)4-1;4-1-2-5-3-6/h3-9,16-17,20,22,31H,10-15,18H2,1-2H3,(H2,27,32);1-2,4-5H,3,6-7H2;3H,1-2H2,(H,5,6)/t20-,22?;;/m1../s1.

What are the key properties of (2R)-2-benzyl-5-[4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)piperazin-1-yl]-4-hydroxypentanamide;2,3-dihydro-1H-indene;N-(2-fluoroethyl)formamide?

(2R)-2-benzyl-5-[4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)piperazin-1-yl]-4-hydroxypentanamide;2,3-dihydro-1H-indene;N-(2-fluoroethyl)formamide has a molecular weight of 659.85 g/mol, XLogP of 4.65, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-benzyl-5-[4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)piperazin-1-yl]-4-hydroxypentanamide;2,3-dihydro-1H-indene;N-(2-fluoroethyl)formamide is sourced from PubChem (CID 142065841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).