5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine

C₃₂H₃₄FN₉O — CID 156725863

About 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine

5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 156725863) has the molecular formula C₃₂H₃₄FN₉O and a molecular weight of 579.68 g/mol. Its IUPAC name is 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
• PubChem CID: 156725863
• Molecular Formula: C₃₂H₃₄FN₉O
• Molecular Weight: 579.68 g/mol
• Exact Mass: 579.29
• IUPAC Name: 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
• SMILES: Fc1cnc(Nc2ccc(N3CCN(CCN4CCOCC4)CC3)nc2)nc1-c1cnc2ccc(-c3ccccc3)cn12
• InChI: InChI=1S/C32H34FN9O/c33-27-21-36-32(38-31(27)28-22-35-30-8-6-25(23-42(28)30)24-4-2-1-3-5-24)37-26-7-9-29(34-20-26)41-14-12-39(13-15-41)10-11-40-16-18-43-19-17-40/h1-9,20-23H,10-19H2,(H,36,37,38)
• InChIKey: HSVQAYIVEPOMDM-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 86.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.68
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?

The IUPAC name of 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine (CID 156725863) is 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine.

What is the SMILES notation for 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?

The canonical SMILES for 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine is Fc1cnc(Nc2ccc(N3CCN(CCN4CCOCC4)CC3)nc2)nc1-c1cnc2ccc(-c3ccccc3)cn12.

What is the InChIKey of 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?

The InChIKey is HSVQAYIVEPOMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN9O/c33-27-21-36-32(38-31(27)28-22-35-30-8-6-25(23-42(28)30)24-4-2-1-3-5-24)37-26-7-9-29(34-20-26)41-14-12-39(13-15-41)10-11-40-16-18-43-19-17-40/h1-9,20-23H,10-19H2,(H,36,37,38).

What are the key properties of 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?

5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 579.68 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 156725863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156725863 — identifiers, structure, computed properties (public domain)

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