(8S)-8-[4-chloro-2-(2-fluorobut-3-en-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C27H27ClFN5O — CID 163888433

About (8S)-8-[4-chloro-2-(2-fluorobut-3-en-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

(8S)-8-[4-chloro-2-(2-fluorobut-3-en-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 163888433) has the molecular formula C27H27ClFN5O and a molecular weight of 492.00 g/mol. Its IUPAC name is (8S)-8-[4-chloro-2-(2-fluorobut-3-en-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: (8S)-8-[4-chloro-2-(2-fluorobut-3-en-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
• PubChem CID: 163888433
• Molecular Formula: C27H27ClFN5O
• Molecular Weight: 492.00 g/mol
• Exact Mass: 491.19
• IUPAC Name: (8S)-8-[4-chloro-2-(2-fluorobut-3-en-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
• SMILES: C=CC(C)(F)c1cc(Cl)ccc1[C@@H]1CCCn2cc(-c3ccc(-n4cnc(C)c4)c(OC)n3)nc21
• InChI: InChI=1S/C27H27ClFN5O/c1-5-27(3,29)21-13-18(28)8-9-19(21)20-7-6-12-33-15-23(31-25(20)33)22-10-11-24(26(32-22)35-4)34-14-17(2)30-16-34/h5,8-11,13-16,20H,1,6-7,12H2,2-4H3/t20-,27?/m0/s1
• InChIKey: PZLJZXZPLPFRKA-SVQMELKDSA-N
• XLogP: 6.40
• TPSA: 57.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.00
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (8S)-8-[4-chloro-2-(2-fluorobut-3-en-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?

The IUPAC name of (8S)-8-[4-chloro-2-(2-fluorobut-3-en-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 163888433) is (8S)-8-[4-chloro-2-(2-fluorobut-3-en-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

What is the SMILES notation for (8S)-8-[4-chloro-2-(2-fluorobut-3-en-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?

The canonical SMILES for (8S)-8-[4-chloro-2-(2-fluorobut-3-en-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is C=CC(C)(F)c1cc(Cl)ccc1[C@@H]1CCCn2cc(-c3ccc(-n4cnc(C)c4)c(OC)n3)nc21.

What is the InChIKey of (8S)-8-[4-chloro-2-(2-fluorobut-3-en-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?

The InChIKey is PZLJZXZPLPFRKA-SVQMELKDSA-N. The full InChI is InChI=1S/C27H27ClFN5O/c1-5-27(3,29)21-13-18(28)8-9-19(21)20-7-6-12-33-15-23(31-25(20)33)22-10-11-24(26(32-22)35-4)34-14-17(2)30-16-34/h5,8-11,13-16,20H,1,6-7,12H2,2-4H3/t20-,27?/m0/s1.

What are the key properties of (8S)-8-[4-chloro-2-(2-fluorobut-3-en-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?

(8S)-8-[4-chloro-2-(2-fluorobut-3-en-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 492.00 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-8-[4-chloro-2-(2-fluorobut-3-en-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 163888433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).