(2E,5Z)-N-ethyl-N-[3-[7-(1-fluoroethyl)-8-[(Z)-prop-1-enyl]-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]butyl]hepta-2,5-dien-2-amine

C25H38FN3 — CID 134291827

About (2E,5Z)-N-ethyl-N-[3-[7-(1-fluoroethyl)-8-[(Z)-prop-1-enyl]-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]butyl]hepta-2,5-dien-2-amine

(2E,5Z)-N-ethyl-N-[3-[7-(1-fluoroethyl)-8-[(Z)-prop-1-enyl]-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]butyl]hepta-2,5-dien-2-amine (PubChem CID 134291827) has the molecular formula C25H38FN3 and a molecular weight of 399.60 g/mol. Its IUPAC name is (2E,5Z)-N-ethyl-N-[3-[7-(1-fluoroethyl)-8-[(Z)-prop-1-enyl]-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]butyl]hepta-2,5-dien-2-amine.

Molecular Properties

• Compound Name: (2E,5Z)-N-ethyl-N-[3-[7-(1-fluoroethyl)-8-[(Z)-prop-1-enyl]-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]butyl]hepta-2,5-dien-2-amine
• PubChem CID: 134291827
• Molecular Formula: C25H38FN3
• Molecular Weight: 399.60 g/mol
• Exact Mass: 399.30
• IUPAC Name: (2E,5Z)-N-ethyl-N-[3-[7-(1-fluoroethyl)-8-[(Z)-prop-1-enyl]-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]butyl]hepta-2,5-dien-2-amine
• SMILES: C/C=C\C/C=C(\C)N(CC)CCC(C)C1CC(C(C)F)=C(/C=C\C)c2cncn21
• InChI: InChI=1S/C25H38FN3/c1-7-10-11-13-20(5)28(9-3)15-14-19(4)24-16-23(21(6)26)22(12-8-2)25-17-27-18-29(24)25/h7-8,10,12-13,17-19,21,24H,9,11,14-16H2,1-6H3/b10-7-,12-8-,20-13+
• InChIKey: BGKAMNQHMQCHHS-OPYCEQCQSA-N
• XLogP: 6.73
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.60
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-N-ethyl-N-[3-[7-(1-fluoroethyl)-8-[(Z)-prop-1-enyl]-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]butyl]hepta-2,5-dien-2-amine?

The IUPAC name of (2E,5Z)-N-ethyl-N-[3-[7-(1-fluoroethyl)-8-[(Z)-prop-1-enyl]-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]butyl]hepta-2,5-dien-2-amine (CID 134291827) is (2E,5Z)-N-ethyl-N-[3-[7-(1-fluoroethyl)-8-[(Z)-prop-1-enyl]-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]butyl]hepta-2,5-dien-2-amine.

What is the SMILES notation for (2E,5Z)-N-ethyl-N-[3-[7-(1-fluoroethyl)-8-[(Z)-prop-1-enyl]-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]butyl]hepta-2,5-dien-2-amine?

The canonical SMILES for (2E,5Z)-N-ethyl-N-[3-[7-(1-fluoroethyl)-8-[(Z)-prop-1-enyl]-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]butyl]hepta-2,5-dien-2-amine is C/C=C\C/C=C(\C)N(CC)CCC(C)C1CC(C(C)F)=C(/C=C\C)c2cncn21.

What is the InChIKey of (2E,5Z)-N-ethyl-N-[3-[7-(1-fluoroethyl)-8-[(Z)-prop-1-enyl]-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]butyl]hepta-2,5-dien-2-amine?

The InChIKey is BGKAMNQHMQCHHS-OPYCEQCQSA-N. The full InChI is InChI=1S/C25H38FN3/c1-7-10-11-13-20(5)28(9-3)15-14-19(4)24-16-23(21(6)26)22(12-8-2)25-17-27-18-29(24)25/h7-8,10,12-13,17-19,21,24H,9,11,14-16H2,1-6H3/b10-7-,12-8-,20-13+.

What are the key properties of (2E,5Z)-N-ethyl-N-[3-[7-(1-fluoroethyl)-8-[(Z)-prop-1-enyl]-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]butyl]hepta-2,5-dien-2-amine?

(2E,5Z)-N-ethyl-N-[3-[7-(1-fluoroethyl)-8-[(Z)-prop-1-enyl]-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]butyl]hepta-2,5-dien-2-amine has a molecular weight of 399.60 g/mol, XLogP of 6.73, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5Z)-N-ethyl-N-[3-[7-(1-fluoroethyl)-8-[(Z)-prop-1-enyl]-5,6-dihydroimidazo[1,5-a]pyridin-5-yl]butyl]hepta-2,5-dien-2-amine is sourced from PubChem (CID 134291827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).