acetylene;3,4-dihydro-2H-chromene;2-(furo[3,2-c]pyridin-2-ylmethyl)-4-hydroxy-5-piperazin-1-ylpentanamide;N-(2,2,2-trifluoroethyl)formamide

C31H40F3N5O5 — CID 142189582

About acetylene;3,4-dihydro-2H-chromene;2-(furo[3,2-c]pyridin-2-ylmethyl)-4-hydroxy-5-piperazin-1-ylpentanamide;N-(2,2,2-trifluoroethyl)formamide

acetylene;3,4-dihydro-2H-chromene;2-(furo[3,2-c]pyridin-2-ylmethyl)-4-hydroxy-5-piperazin-1-ylpentanamide;N-(2,2,2-trifluoroethyl)formamide (PubChem CID 142189582) has the molecular formula C31H40F3N5O5 and a molecular weight of 619.69 g/mol. Its IUPAC name is acetylene;3,4-dihydro-2H-chromene;2-(furo[3,2-c]pyridin-2-ylmethyl)-4-hydroxy-5-piperazin-1-ylpentanamide;N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

• Compound Name: acetylene;3,4-dihydro-2H-chromene;2-(furo[3,2-c]pyridin-2-ylmethyl)-4-hydroxy-5-piperazin-1-ylpentanamide;N-(2,2,2-trifluoroethyl)formamide
• PubChem CID: 142189582
• Molecular Formula: C31H40F3N5O5
• Molecular Weight: 619.69 g/mol
• Exact Mass: 619.30
• IUPAC Name: acetylene;3,4-dihydro-2H-chromene;2-(furo[3,2-c]pyridin-2-ylmethyl)-4-hydroxy-5-piperazin-1-ylpentanamide;N-(2,2,2-trifluoroethyl)formamide
• SMILES: C#C.NC(=O)C(Cc1cc2cnccc2o1)CC(O)CN1CCNCC1.O=CNCC(F)(F)F.c1ccc2c(c1)CCCO2
• InChI: InChI=1S/C17H24N4O3.C9H10O.C3H4F3NO.C2H2/c18-17(23)12(7-14(22)11-21-5-3-19-4-6-21)8-15-9-13-10-20-2-1-16(13)24-15;1-2-6-9-8(4-1)5-3-7-10-9;4-3(5,6)1-7-2-8;1-2/h1-2,9-10,12,14,19,22H,3-8,11H2,(H2,18,23);1-2,4,6H,3,5,7H2;2H,1H2,(H,7,8);1-2H
• InChIKey: MSKUQNLJELIJBQ-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 142.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	619.69
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetylene;3,4-dihydro-2H-chromene;2-(furo[3,2-c]pyridin-2-ylmethyl)-4-hydroxy-5-piperazin-1-ylpentanamide;N-(2,2,2-trifluoroethyl)formamide?

The IUPAC name of acetylene;3,4-dihydro-2H-chromene;2-(furo[3,2-c]pyridin-2-ylmethyl)-4-hydroxy-5-piperazin-1-ylpentanamide;N-(2,2,2-trifluoroethyl)formamide (CID 142189582) is acetylene;3,4-dihydro-2H-chromene;2-(furo[3,2-c]pyridin-2-ylmethyl)-4-hydroxy-5-piperazin-1-ylpentanamide;N-(2,2,2-trifluoroethyl)formamide.

What is the SMILES notation for acetylene;3,4-dihydro-2H-chromene;2-(furo[3,2-c]pyridin-2-ylmethyl)-4-hydroxy-5-piperazin-1-ylpentanamide;N-(2,2,2-trifluoroethyl)formamide?

The canonical SMILES for acetylene;3,4-dihydro-2H-chromene;2-(furo[3,2-c]pyridin-2-ylmethyl)-4-hydroxy-5-piperazin-1-ylpentanamide;N-(2,2,2-trifluoroethyl)formamide is C#C.NC(=O)C(Cc1cc2cnccc2o1)CC(O)CN1CCNCC1.O=CNCC(F)(F)F.c1ccc2c(c1)CCCO2.

What is the InChIKey of acetylene;3,4-dihydro-2H-chromene;2-(furo[3,2-c]pyridin-2-ylmethyl)-4-hydroxy-5-piperazin-1-ylpentanamide;N-(2,2,2-trifluoroethyl)formamide?

The InChIKey is MSKUQNLJELIJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3.C9H10O.C3H4F3NO.C2H2/c18-17(23)12(7-14(22)11-21-5-3-19-4-6-21)8-15-9-13-10-20-2-1-16(13)24-15;1-2-6-9-8(4-1)5-3-7-10-9;4-3(5,6)1-7-2-8;1-2/h1-2,9-10,12,14,19,22H,3-8,11H2,(H2,18,23);1-2,4,6H,3,5,7H2;2H,1H2,(H,7,8);1-2H.

What are the key properties of acetylene;3,4-dihydro-2H-chromene;2-(furo[3,2-c]pyridin-2-ylmethyl)-4-hydroxy-5-piperazin-1-ylpentanamide;N-(2,2,2-trifluoroethyl)formamide?

acetylene;3,4-dihydro-2H-chromene;2-(furo[3,2-c]pyridin-2-ylmethyl)-4-hydroxy-5-piperazin-1-ylpentanamide;N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 619.69 g/mol, XLogP of 2.68, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;3,4-dihydro-2H-chromene;2-(furo[3,2-c]pyridin-2-ylmethyl)-4-hydroxy-5-piperazin-1-ylpentanamide;N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 142189582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).