6-fluoro-N-[4-[[5-fluoro-2-[3-[4-(3-piperazin-1-ylpropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide

C39H43F2N7O3 — CID 70240559

About 6-fluoro-N-[4-[[5-fluoro-2-[3-[4-(3-piperazin-1-ylpropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide

6-fluoro-N-[4-[[5-fluoro-2-[3-[4-(3-piperazin-1-ylpropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 70240559) has the molecular formula C39H43F2N7O3 and a molecular weight of 695.82 g/mol. Its IUPAC name is 6-fluoro-N-[4-[[5-fluoro-2-[3-[4-(3-piperazin-1-ylpropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-N-[4-[[5-fluoro-2-[3-[4-(3-piperazin-1-ylpropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 70240559
• Molecular Formula: C39H43F2N7O3
• Molecular Weight: 695.82 g/mol
• Exact Mass: 695.34
• IUPAC Name: 6-fluoro-N-[4-[[5-fluoro-2-[3-[4-(3-piperazin-1-ylpropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide
• SMILES: O=C(NC1CCC(NC(=O)C2CN3C=C(F)C=CC3=N2)CC1)c1cc(F)cnc1Oc1cccc(-c2ccc(CCCN3CCNCC3)cc2)c1
• InChI: InChI=1S/C39H43F2N7O3/c40-29-10-15-36-46-35(25-48(36)24-29)38(50)45-32-13-11-31(12-14-32)44-37(49)34-22-30(41)23-43-39(34)51-33-5-1-4-28(21-33)27-8-6-26(7-9-27)3-2-18-47-19-16-42-17-20-47/h1,4-10,15,21-24,31-32,35,42H,2-3,11-14,16-20,25H2,(H,44,49)(H,45,50)
• InChIKey: VLRIURNTEXSJSB-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 111.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	695.82
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-[[5-fluoro-2-[3-[4-(3-piperazin-1-ylpropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of 6-fluoro-N-[4-[[5-fluoro-2-[3-[4-(3-piperazin-1-ylpropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide (CID 70240559) is 6-fluoro-N-[4-[[5-fluoro-2-[3-[4-(3-piperazin-1-ylpropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for 6-fluoro-N-[4-[[5-fluoro-2-[3-[4-(3-piperazin-1-ylpropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for 6-fluoro-N-[4-[[5-fluoro-2-[3-[4-(3-piperazin-1-ylpropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide is O=C(NC1CCC(NC(=O)C2CN3C=C(F)C=CC3=N2)CC1)c1cc(F)cnc1Oc1cccc(-c2ccc(CCCN3CCNCC3)cc2)c1.

What is the InChIKey of 6-fluoro-N-[4-[[5-fluoro-2-[3-[4-(3-piperazin-1-ylpropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is VLRIURNTEXSJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43F2N7O3/c40-29-10-15-36-46-35(25-48(36)24-29)38(50)45-32-13-11-31(12-14-32)44-37(49)34-22-30(41)23-43-39(34)51-33-5-1-4-28(21-33)27-8-6-26(7-9-27)3-2-18-47-19-16-42-17-20-47/h1,4-10,15,21-24,31-32,35,42H,2-3,11-14,16-20,25H2,(H,44,49)(H,45,50).

What are the key properties of 6-fluoro-N-[4-[[5-fluoro-2-[3-[4-(3-piperazin-1-ylpropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?

6-fluoro-N-[4-[[5-fluoro-2-[3-[4-(3-piperazin-1-ylpropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 695.82 g/mol, XLogP of 5.14, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-N-[4-[[5-fluoro-2-[3-[4-(3-piperazin-1-ylpropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 70240559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).