4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide

C21H19F3N6O2 — CID 155167703

About 4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide

4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 155167703) has the molecular formula C21H19F3N6O2 and a molecular weight of 444.42 g/mol. Its IUPAC name is 4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide
• PubChem CID: 155167703
• Molecular Formula: C21H19F3N6O2
• Molecular Weight: 444.42 g/mol
• Exact Mass: 444.15
• IUPAC Name: 4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide
• SMILES: O=C(NCc1cn2cc(CNCCC(F)(F)F)ccc2n1)c1cc(=O)n2ccccc2n1
• InChI: InChI=1S/C21H19F3N6O2/c22-21(23,24)6-7-25-10-14-4-5-17-27-15(13-29(17)12-14)11-26-20(32)16-9-19(31)30-8-2-1-3-18(30)28-16/h1-5,8-9,12-13,25H,6-7,10-11H2,(H,26,32)
• InChIKey: BOJWIXFADTWWGU-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 92.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.42
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide?

The IUPAC name of 4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide (CID 155167703) is 4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide?

The canonical SMILES for 4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide is O=C(NCc1cn2cc(CNCCC(F)(F)F)ccc2n1)c1cc(=O)n2ccccc2n1.

What is the InChIKey of 4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide?

The InChIKey is BOJWIXFADTWWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O2/c22-21(23,24)6-7-25-10-14-4-5-17-27-15(13-29(17)12-14)11-26-20(32)16-9-19(31)30-8-2-1-3-18(30)28-16/h1-5,8-9,12-13,25H,6-7,10-11H2,(H,26,32).

What are the key properties of 4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide?

4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 444.42 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-oxo-N-[[6-[(3,3,3-trifluoropropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 155167703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).