1-[4-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]phenyl]cyclopropane-1-carbaldehyde

C26H25FN6O — CID 87329223

About 1-[4-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]phenyl]cyclopropane-1-carbaldehyde

1-[4-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]phenyl]cyclopropane-1-carbaldehyde (PubChem CID 87329223) has the molecular formula C26H25FN6O and a molecular weight of 456.53 g/mol. Its IUPAC name is 1-[4-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]phenyl]cyclopropane-1-carbaldehyde.

Molecular Properties

• Compound Name: 1-[4-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]phenyl]cyclopropane-1-carbaldehyde
• PubChem CID: 87329223
• Molecular Formula: C26H25FN6O
• Molecular Weight: 456.53 g/mol
• Exact Mass: 456.21
• IUPAC Name: 1-[4-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]phenyl]cyclopropane-1-carbaldehyde
• SMILES: O=CC1(c2ccc(N3CCC[C@@H](Nc4ccnc(-c5cnc6ccc(F)cn56)n4)C3)cc2)CC1
• InChI: InChI=1S/C26H25FN6O/c27-19-5-8-24-29-14-22(33(24)15-19)25-28-12-9-23(31-25)30-20-2-1-13-32(16-20)21-6-3-18(4-7-21)26(17-34)10-11-26/h3-9,12,14-15,17,20H,1-2,10-11,13,16H2,(H,28,30,31)/t20-/m1/s1
• InChIKey: CUCHVXUAOCIRDV-HXUWFJFHSA-N
• XLogP: 4.24
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.53
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]phenyl]cyclopropane-1-carbaldehyde?

The IUPAC name of 1-[4-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]phenyl]cyclopropane-1-carbaldehyde (CID 87329223) is 1-[4-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]phenyl]cyclopropane-1-carbaldehyde.

What is the SMILES notation for 1-[4-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]phenyl]cyclopropane-1-carbaldehyde?

The canonical SMILES for 1-[4-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]phenyl]cyclopropane-1-carbaldehyde is O=CC1(c2ccc(N3CCC[C@@H](Nc4ccnc(-c5cnc6ccc(F)cn56)n4)C3)cc2)CC1.

What is the InChIKey of 1-[4-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]phenyl]cyclopropane-1-carbaldehyde?

The InChIKey is CUCHVXUAOCIRDV-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H25FN6O/c27-19-5-8-24-29-14-22(33(24)15-19)25-28-12-9-23(31-25)30-20-2-1-13-32(16-20)21-6-3-18(4-7-21)26(17-34)10-11-26/h3-9,12,14-15,17,20H,1-2,10-11,13,16H2,(H,28,30,31)/t20-/m1/s1.

What are the key properties of 1-[4-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]phenyl]cyclopropane-1-carbaldehyde?

1-[4-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]phenyl]cyclopropane-1-carbaldehyde has a molecular weight of 456.53 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]phenyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 87329223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).